data_2cot_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 2cot _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 9.0 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.913 0.387 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -143.11 145.62 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -93.33 142.9 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -93.02 -24.47 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.5 -59.63 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.95 -49.67 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.7 40.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -110.64 161.5 15.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 89.4 p -125.01 161.88 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 27' ' ' SER . 27.3 m-85 -145.96 155.02 42.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -78.24 -36.91 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -108.68 144.38 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.499 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 97.1 p -73.98 -34.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.19 -46.64 73.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 6.5 tp -58.54 -41.61 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 t -55.61 -43.63 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -70.44 -24.17 62.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.422 ' O ' ' CG2' ' A' ' 40' ' ' THR . 11.0 t60 -71.07 -54.35 11.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -42.29 -28.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -56.38 -44.27 80.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 10.2 t -50.67 -17.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.5 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.775 0.24 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -131.68 143.42 50.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -162.8 120.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.2 t -69.5 161.73 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.63 -46.06 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.1 p -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.15 47.11 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.48 153.82 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.13 143.64 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.06 -56.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.524 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 45.3 mm-40 -83.37 160.4 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 9.9 tpp180 -71.55 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 77.3 p -41.01 -39.65 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 18.0 m170 -48.8 -44.51 39.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 15.8 tp -84.87 -44.61 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.8 mt -44.74 -48.83 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.88 -41.09 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' HIS . 14.2 t60 -51.72 -47.22 64.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.431 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.7 m80 -36.82 -33.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' HIS . 25.7 mmm180 -43.98 -55.25 4.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 4.6 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.961 0.41 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -171.95 161.38 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.9 t -113.58 76.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.0 p-10 -37.2 -34.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.07 -54.61 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 p -109.11 -48.12 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.15 33.99 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -108.49 149.54 28.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 36.8 t -120.96 173.42 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 27' ' ' SER . 17.5 m-85 -158.97 149.23 19.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 m -71.97 -45.12 62.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.2 141.02 37.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.2 p -57.49 -46.71 83.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -46.18 -55.96 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -44.34 -60.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' CE1' ' A' ' 28' ' ' PHE . 18.5 tp -45.76 -45.81 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 t -52.22 -50.25 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -61.7 -43.45 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ARG . 9.5 t60 -49.55 -54.77 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -37.41 -44.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -42.75 -47.91 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -42.46 -43.56 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.806 0.252 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 64.4 m-85 -133.69 144.73 49.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -165.72 147.31 7.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -105.69 156.16 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -100.21 -45.02 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.97 -59.94 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.64 -47.99 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.82 48.21 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 52.5 tttt -122.8 160.63 25.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' LYS . . . -113.58 151.89 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -138.7 132.97 31.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.2 mp -70.39 -55.03 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.528 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 3.4 tp-100 -81.57 145.87 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.36 -50.56 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -51.71 -49.66 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 34.6 m170 -42.33 -29.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.4 tp -87.05 -49.31 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.2 mt -46.05 -45.58 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.57 -53.86 9.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' ARG . 9.4 t60 -45.5 -50.38 12.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.3 m170 -34.36 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' HIS . 16.8 mtt180 -44.14 -53.04 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' ARG . 18.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 84.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -114.4 155.22 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.3 t -102.66 78.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -37.98 -32.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' CYS . 43.8 mm-40 -49.09 -54.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 p -110.05 -47.51 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 32.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -105.02 152.96 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -126.2 139.55 53.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.49 144.6 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -62.13 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -110.97 134.46 52.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 76.3 p -58.06 -55.48 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m -37.88 -45.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.68 -45.47 94.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 42.8 tp -56.14 -42.59 77.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.1 t -50.56 -50.38 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -63.48 -40.31 96.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -53.4 -53.38 52.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -42.34 -37.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -41.26 -48.01 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 p -38.11 -53.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.844 0.268 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -104.33 119.11 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -152.53 134.12 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -81.25 160.46 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.28 -45.2 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -53.35 -59.14 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -87.17 -45.26 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.93 6.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -92.91 165.31 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.12 160.61 21.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -153.27 151.16 29.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.6 mt -92.49 -51.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 20.3 mm-40 -91.79 151.56 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.06 -50.08 75.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.7 p -49.42 -48.86 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 21.3 m170 -42.64 -30.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' ILE . 39.0 tp -93.02 -51.78 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' LEU . 94.9 mt -37.76 -40.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' HIS . . . -73.51 -64.12 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' HIS . 39.0 t60 -34.72 -42.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 8.9 m80 -34.3 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' HIS . 21.2 ptt180 -36.4 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' HIS . 95.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 67.7 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.963 0.411 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -137.89 129.17 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.52 138.68 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.22 -32.69 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.53 -53.7 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.2 p -110.22 -48.24 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.36 36.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -100.82 163.05 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -128.71 148.04 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -135.31 162.12 33.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -84.78 -43.09 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.68 147.67 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t -67.22 -51.97 46.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.7 t -44.7 -41.52 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.36 -47.67 81.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.63 -44.35 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.7 t -50.79 -46.06 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -65.89 -44.75 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -48.06 -53.27 16.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -39.28 -44.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' THR . 8.1 mmm180 -37.37 -48.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' ARG . 63.4 p -35.95 -47.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.827 0.261 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 82.3 m-85 -120.29 134.85 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -148.07 144.65 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -105.25 -38.76 6.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -63.74 -58.49 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 18.2 p -87.74 -45.81 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 92.73 47.22 3.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -117.43 151.55 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.24 148.52 25.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 61' ' ' HIS . 38.2 m-85 -132.38 175.79 8.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' HB ' ' CE1' ' A' ' 61' ' ' HIS . 38.8 mm -93.41 -71.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 77.9 mm-40 -89.08 155.95 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -55.33 -46.8 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -45.09 -41.51 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 56' ' ' PHE . 11.9 m170 -49.24 -43.44 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -80.02 -49.7 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.4 mt -39.76 -61.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.95 -44.53 61.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -44.59 -47.73 10.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.0 m80 -40.26 -38.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -54.66 -42.89 71.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.974 0.416 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -123.22 162.41 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ASP . 12.8 t -110.6 80.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 22.8 t70 -36.58 -36.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.93 -54.61 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.57 -43.23 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.22 34.44 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -108.02 149.09 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 p -117.93 145.58 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' CZ ' ' CG ' ' A' ' 37' ' ' HIS . 17.0 m-85 -126.13 160.8 29.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -82.61 -37.67 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -109.0 122.31 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -51.5 -52.36 47.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -44.46 -46.24 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -61.02 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -38.09 -37.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -56.57 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -58.15 -34.0 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.429 ' O ' ' CG2' ' A' ' 40' ' ' THR . 9.4 t60 -60.18 -50.64 72.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.92 -29.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.82 -41.0 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 9.8 t -51.58 -22.8 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.78 0.242 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.3 m-85 -112.59 140.63 47.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -172.26 149.9 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 23.9 t -101.39 160.78 14.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t0 -100.92 -55.43 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -41.49 -64.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.48 -47.67 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.59 64.27 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 35.9 tttp -136.19 138.67 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.32 155.92 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' LYS . 7.8 m-85 -144.41 143.85 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.49 -53.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -100.89 137.43 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' SER . 19.8 tpt180 -51.45 -57.81 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.463 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 m -34.52 -49.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -45.87 -47.72 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 30.4 tp -75.84 -39.71 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 43.9 mm -37.61 -59.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.47 41.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.2 t60 -38.93 -46.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 20.1 m80 -34.34 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' HIS . 23.9 mtp180 -35.84 -51.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' ARG . 31.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 14.6 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.943 0.401 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -142.88 120.6 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 15.6 t -69.58 74.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.3 p-10 -34.59 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' CYS . 47.2 mt-10 -49.04 -52.18 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 p -107.46 -50.09 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.23 26.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -103.19 152.88 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.3 p -120.64 141.03 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.46 154.76 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -79.01 -41.26 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -109.1 127.52 54.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 75.5 p -48.7 -39.04 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.6 m -51.4 -59.59 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -58.71 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 11.1 tp -44.67 -58.4 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.419 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 47.1 t -43.88 -53.13 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -61.49 -36.67 81.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ARG . 6.3 t60 -65.03 -58.2 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' HIS . 8.0 mtt85 -34.93 -38.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' HIS . 28.9 mtp180 -52.87 -48.86 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' HIS . 15.3 t -37.3 -33.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' ARG . 80.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.817 0.257 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.538 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 39.2 m-85 -124.14 142.2 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.29 108.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.63 144.05 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.92 -40.96 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -66.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.8 -46.99 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.05 33.86 5.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 55' ' ' ALA . 1.6 tmtt? -105.82 150.69 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' A' ' 54' ' ' LYS . . . -112.1 149.75 31.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.038 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -135.62 152.58 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.0 mt -85.64 -56.61 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 3.0 mp0 -78.46 173.87 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.94 -53.19 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.9 p -55.81 -19.66 12.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 35.1 m170 -63.38 -26.85 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 26.2 tp -98.62 -39.92 8.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.3 mt -49.54 -42.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.79 7.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.6 t60 -50.33 -44.19 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.1 m80 -36.33 -34.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 8.6 ptm180 -40.52 -47.05 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 19.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 54.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.957 0.408 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -157.4 136.45 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -84.63 79.45 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.34 -25.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.59 -58.55 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 p -99.95 -49.08 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.66 34.26 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -107.72 157.4 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.4 p -126.73 150.9 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.52 146.86 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -72.76 -40.08 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.51 134.67 50.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 37.4 p -57.4 -47.14 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -44.52 -62.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -38.64 -58.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 16.7 tp -46.81 -46.16 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 t -45.49 -45.57 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -37.49 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' CG2' ' A' ' 40' ' ' THR . 47.2 t60 -58.1 -45.98 86.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -46.72 -28.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -54.38 -42.32 70.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 13.5 t -56.5 -23.34 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.782 0.243 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 53.6 m-85 -139.74 138.5 35.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -160.08 144.15 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 34.0 t -95.01 143.84 26.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.47 -44.72 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -47.27 -59.81 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.45 -46.66 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.22 32.5 5.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HD2' ' CE2' ' A' ' 56' ' ' PHE . 15.7 ttmt -111.37 151.62 28.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.7 159.9 15.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 4.1 m-85 -148.13 133.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -61.88 -61.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.2 mt-30 -87.01 146.28 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 6.3 ptm180 -58.05 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 t -46.61 -48.57 19.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.3 m170 -44.16 -33.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 5.9 tp -91.74 -43.3 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.7 mt -48.94 -41.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.31 -38.77 10.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' A' ' 68' ' ' VAL . 1.8 t60 -46.46 -36.91 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -40.71 -27.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' HIS . 18.2 ptp180 -56.47 -47.08 79.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 HG21 ' CE1' ' A' ' 65' ' ' HIS . 27.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.946 0.403 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -166.69 133.37 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.2 t -89.22 75.82 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -38.75 -28.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' CYS . 9.3 mp0 -50.89 -48.34 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -50.38 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.21 15.84 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -85.28 171.52 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.605 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 58.5 p -147.17 146.3 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -146.55 126.08 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -57.98 -33.78 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -97.67 128.7 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 96.9 p -64.59 -52.4 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -46.1 -50.2 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.94 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.44 -43.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.7 t -52.26 -43.73 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.67 -25.26 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -69.61 -52.65 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -26.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.2 mmm180 -57.37 -47.84 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 t -43.95 -25.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.762 0.234 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 61.5 m-85 -118.5 136.35 53.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -157.66 143.75 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.05 158.86 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -107.96 -26.93 10.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.79 -40.17 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 15.4 p -111.64 -46.27 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 95.07 56.67 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 5.0 ttpm? -125.97 131.01 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.07 136.69 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 82.2 m-85 -123.48 109.94 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -49.76 -50.72 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 31.2 mm-40 -91.49 175.67 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -86.86 -52.87 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -49.67 -48.2 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 24.3 m170 -44.99 -29.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 tp -87.14 -44.11 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -46.2 -55.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.3 -40.92 94.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -48.41 -41.36 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -44.4 -26.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -51.53 -48.48 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 21' ' ' CYS . 42.5 tttm -146.24 161.96 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 7.2 t -115.16 77.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -39.54 -30.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -50.18 -54.09 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 p -110.58 -50.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.77 31.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.538 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -105.61 153.0 22.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 27.0 p -125.37 164.25 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' SER . 21.7 m-85 -149.98 177.32 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -100.22 -41.57 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -103.31 139.02 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.3 p -64.05 -46.9 82.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -51.26 -47.05 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.88 -54.4 46.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 5.7 tp -53.31 -42.36 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -51.61 -49.28 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -65.07 -28.41 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.405 ' O ' ' CG2' ' A' ' 40' ' ' THR . 7.3 t60 -68.64 -40.62 80.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -62.67 -36.31 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -56.69 -41.42 77.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 1.9 t -50.33 -19.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.788 0.245 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.8 m-85 -141.01 129.73 22.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -148.24 136.33 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.2 163.62 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -109.55 -40.93 4.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -58.3 -52.9 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.9 p -99.36 -40.25 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.49 35.35 6.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 16.4 tptm -89.74 151.39 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.13 139.99 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 54' ' ' LYS . 4.2 m-85 -141.14 156.05 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.33 -53.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.574 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 40.7 tp60 -83.02 151.73 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -63.62 -45.37 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -54.98 -42.05 71.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 58' ' ' GLN . 36.4 m170 -49.02 -25.95 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.39 -39.59 9.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.82 -40.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.4 -43.94 23.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -48.53 -26.88 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -53.74 -33.62 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -87.66 27.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.939 0.399 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -148.94 134.78 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.1 t -84.29 73.07 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.5 m-20 -35.9 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' CYS . 5.3 mp0 -49.82 -51.67 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' O ' ' NE ' ' A' ' 59' ' ' ARG . 11.8 p -110.06 -50.0 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.35 22.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -92.75 167.11 12.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.2 p -142.36 137.55 30.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -123.94 165.05 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -88.86 -35.63 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -113.59 121.82 45.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -49.14 -48.93 44.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -42.36 -52.77 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.55 -50.48 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.7 tp -50.45 -39.96 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -57.03 -41.67 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -69.77 -33.48 72.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' ARG . 16.0 t60 -61.66 -54.91 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -40.6 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' HIS . 53.8 mtp180 -63.91 -45.09 90.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.481 HG21 ' N ' ' A' ' 41' ' ' HIS . 8.6 t -47.0 -24.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 46' ' ' PRO . 73.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.763 0.235 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.7 m-85 -134.19 138.56 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -170.88 118.28 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.39 163.79 24.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.16 -41.65 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.18 -49.72 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.69 34.68 4.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -107.85 151.53 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 56' ' ' PHE . . . -100.2 167.76 10.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 55' ' ' ALA . 64.7 m-85 -156.15 135.8 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.07 -45.76 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -101.23 159.78 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 24' ' ' CYS . 47.6 ttt180 -74.45 -56.62 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.487 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 72.8 m -38.95 -48.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -48.07 -42.98 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 66' ' ' HIS . 8.8 tp -77.47 -34.98 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 50.2 mm -44.62 -60.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.11 95.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.539 ' CE1' HG12 ' A' ' 68' ' ' VAL . 25.3 t60 -52.3 -40.02 61.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.463 ' CE1' HD13 ' A' ' 62' ' ' LEU . 4.0 m80 -45.84 -27.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 67' ' ' ARG . 7.7 mtp-105 -89.17 29.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 65' ' ' HIS . 12.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.948 0.404 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -143.96 129.97 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -75.28 145.17 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -96.37 -29.31 14.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.43 -44.5 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.14 -52.94 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 17.9 1.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -72.07 163.49 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -134.6 145.39 48.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 34' ' ' LEU . 5.4 m-85 -142.87 167.06 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -94.95 -44.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -99.93 151.32 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -73.43 -48.12 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -47.21 -41.91 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -60.82 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' A' ' 28' ' ' PHE . 33.1 tp -44.55 -53.7 6.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 t -45.27 -39.19 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -73.0 -39.2 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' ARG . 8.5 t60 -54.78 -58.79 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -35.45 -43.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' THR . 49.2 mtm180 -39.04 -52.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' HIS . 68.8 p -37.93 -55.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' THR . 65.6 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.769 0.237 . . . . 0.0 112.3 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.9 m-85 -129.09 139.34 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -158.79 121.39 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.71 120.57 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -38.18 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -44.41 -50.7 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.8 p -105.26 -47.4 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.38 34.14 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -107.59 147.92 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 147.58 31.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 62' ' ' LEU . 14.4 m-85 -130.91 140.46 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.24 -48.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.0 mt-30 -92.41 173.7 7.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tpp180 -78.4 -54.41 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 p -55.8 -25.7 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m170 -59.23 -28.46 66.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 56' ' ' PHE . 14.9 tp -100.94 -43.78 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.0 mt -45.18 -30.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.46 -56.24 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' HIS . 24.5 t60 -43.59 -44.48 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' HIS . 5.6 m80 -34.65 -60.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -40.79 -42.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' HIS . 89.1 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -143.71 128.13 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.2 151.11 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 -24.5 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.69 -50.8 72.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.18 -48.27 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.25 31.64 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 40.0 tttt -94.59 163.73 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.4 p -129.04 147.1 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.533 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 51.7 m-85 -136.21 168.19 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.7 m -89.91 -42.9 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -102.19 146.47 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -70.82 -44.36 66.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -54.57 -48.98 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -55.28 -42.34 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 HD11 ' NE ' ' A' ' 38' ' ' ARG . 9.9 tp -59.27 -43.07 92.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -51.92 -53.9 35.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -59.8 -40.94 90.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -51.4 -46.75 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' NE ' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -44.43 -43.22 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' THR . 58.5 mtp180 -44.93 -48.43 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ARG . 80.4 p -37.26 -35.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.565 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.806 0.253 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.9 m-85 -116.47 149.74 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 49' ' ' CYS . 27.9 tttt -171.06 150.65 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 14.3 t -103.98 166.64 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.48 -64.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -43.41 -61.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 p -82.24 -39.36 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.58 51.06 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -115.29 144.47 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.86 153.99 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.48 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 22.9 m-85 -139.42 114.99 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.8 mp -54.77 -50.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -102.88 168.27 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 18.8 ttm180 -76.65 -46.26 26.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.94 -31.22 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -61.9 -30.36 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.5 tp -91.45 -35.48 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -46.11 -45.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.76 -35.27 40.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -50.64 -35.17 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -55.85 -32.19 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -83.04 19.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 3.9 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.932 0.396 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -153.33 166.02 33.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 9.5 t -116.99 74.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 16.9 t70 -37.32 -34.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -46.97 -50.57 18.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.09 -48.49 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.57 33.18 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -104.4 153.07 21.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 p -125.75 149.15 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' A' ' 34' ' ' LEU . 6.1 m-85 -137.0 149.68 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 m -78.29 -38.84 41.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.75 120.07 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 45.0 t -51.97 -47.94 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.37 -44.58 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.2 -60.66 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 28' ' ' PHE . 19.0 tp -38.14 -36.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.3 m -62.48 -56.09 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 19.8 pttt -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 39' ' ' ARG . 20.8 t60 -57.77 -57.85 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.84 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' LYS . 2.1 mmp_? -57.54 -46.11 84.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 t -43.81 -26.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.56 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 94.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.833 0.264 . . . . 0.0 112.409 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.0 m-85 -121.15 137.13 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.56 ' HE2' ' CE1' ' A' ' 41' ' ' HIS . 23.5 tttp -169.12 129.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.61 146.33 27.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.6 -53.44 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.8 -67.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 p -76.79 -53.1 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.41 38.05 2.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -113.94 158.46 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.21 160.78 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 62' ' ' LEU . 20.9 m-85 -147.28 132.8 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.01 -49.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 14.1 mm-40 -90.41 164.35 14.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 5.6 t -41.88 -53.3 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 32.2 m170 -36.46 -42.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 7.2 tp -84.16 -33.94 24.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 47.5 mm -48.58 -57.12 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -41.5 82.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.529 ' CE1' HG13 ' A' ' 68' ' ' VAL . 10.9 t60 -48.98 -41.88 35.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.432 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 12.9 m80 -38.97 -31.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -84.45 29.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.529 HG13 ' CE1' ' A' ' 65' ' ' HIS . 7.3 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -150.72 156.54 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 t -109.95 76.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -39.0 -31.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.78 -55.17 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.3 -49.89 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.08 24.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -94.96 168.69 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -141.99 143.89 33.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 34' ' ' LEU . 27.5 m-85 -129.34 168.97 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.2 m -93.64 -41.5 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -111.11 131.95 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.4 p -50.29 -47.28 55.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 m -45.46 -46.55 13.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -56.9 -56.46 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 28' ' ' PHE . 36.9 tp -50.88 -51.14 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -45.77 -43.45 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -68.31 -37.1 80.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ARG . 28.2 t60 -61.57 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -35.95 -36.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -53.94 -48.61 70.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' HIS . 74.1 p -40.81 -33.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.802 0.251 . . . . 0.0 112.302 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.3 m-85 -121.66 138.23 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -170.1 117.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.0 t -73.49 152.44 40.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.2 -41.38 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.29 -49.13 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -98.24 -40.57 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.11 42.68 4.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -117.55 145.51 44.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.85 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 7.2 m-85 -131.12 157.43 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.31 -51.28 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.554 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 59.3 mm-40 -95.94 161.8 13.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -69.34 -58.72 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 p -43.54 -37.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 13.6 m170 -55.32 -39.55 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 tp -89.55 -50.39 6.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.9 mt -37.44 -56.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.29 -45.39 86.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -41.43 -42.21 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -37.99 -53.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' VAL . 30.0 mtp180 -47.13 -48.06 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' ARG . 61.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.931 0.396 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -152.34 133.42 14.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.21 107.96 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.48 41.74 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.61 -42.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.2 -48.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.78 41.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -107.4 167.27 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -142.08 146.08 35.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -136.36 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -81.28 -44.17 18.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -105.28 150.31 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -70.07 -48.7 56.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -44.87 -48.4 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.36 -60.17 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.2 tp -45.81 -54.77 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -43.16 -39.72 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -73.22 -50.02 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 14.2 t60 -44.18 -57.68 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -36.25 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' HIS . 57.8 mtt180 -50.21 -49.62 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 4.0 t -42.34 -27.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.133 0 CA-C-O 120.795 0.248 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 59' ' ' ARG . 32.3 m-85 -115.5 154.35 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.09 147.83 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 36.9 t -102.68 161.96 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 18.9 m-20 -105.16 -47.18 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.09 -60.35 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -83.47 -39.86 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.76 41.8 7.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -116.88 152.63 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.51 150.55 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.46 148.34 47.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.5 mt -74.49 -58.72 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.547 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 55.4 mm-40 -90.2 139.54 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 4.9 ptm180 -55.61 -46.7 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 40.0 t -47.21 -49.3 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.8 m170 -43.58 -37.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -85.22 -39.65 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 60' ' ' SER . 75.9 mt -44.78 -57.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.54 83.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -50.72 -35.34 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -51.12 -32.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -84.32 27.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 4.2 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.989 0.423 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -162.96 121.64 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.59 84.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.92 -28.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.21 -50.31 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.69 -44.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 22.15 2.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -92.3 165.06 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -136.53 161.35 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -148.78 147.43 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.4 m -78.31 -33.46 49.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.44 116.9 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 77.1 p -45.32 -48.15 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -44.38 -57.74 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.99 -63.91 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' HIS . 2.3 tp -39.1 -61.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' LEU . 37.2 m -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -65.59 -39.83 92.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LEU . 21.1 t60 -64.18 -47.53 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HE ' ' CG ' ' A' ' 34' ' ' LEU . 11.9 mtt180 -42.93 -29.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' HIS . 84.5 mtt180 -57.28 -42.7 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 9.1 t -44.14 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 66.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.809 0.254 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 45.6 m-85 -139.31 121.37 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -139.94 115.55 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.5 t -79.8 118.4 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.66 -39.94 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -42.42 -54.75 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -101.77 -45.11 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.14 31.62 3.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tttp -101.75 149.16 24.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.82 142.5 46.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.0 m-85 -139.83 149.43 43.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.71 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.53 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 11.2 tp60 -64.9 174.07 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 11.2 tpp180 -86.75 -57.94 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.3 t -51.66 -47.17 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 27.9 m170 -34.48 -34.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' SER . 23.0 tp -93.86 -38.98 10.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' SER . 40.6 mm -49.19 -36.57 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.67 -44.24 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -49.3 -42.6 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ARG . 11.0 m80 -38.15 -35.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 22.5 ptt180 -37.45 -46.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 33.5 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 25.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.981 0.42 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -153.4 146.67 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.6 t -102.46 77.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -39.06 -30.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 mm-40 -49.37 -46.83 47.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -119.83 -46.52 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.25 11.25 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.77 164.59 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.1 p -143.91 133.48 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 26' ' ' LYS . 5.7 m-85 -131.72 144.32 50.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m -67.88 -45.08 75.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -99.66 145.47 27.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 87.6 p -68.81 -53.33 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -40.56 -51.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -52.7 60.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 28' ' ' PHE . 25.5 tp -49.98 -39.8 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -39.86 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.5 t60 -72.57 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -36.7 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' HIS . 82.2 mtp180 -63.55 -47.57 81.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' HIS . 3.6 t -43.72 -28.94 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 59.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.78 0.241 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 57.6 m-85 -139.24 138.2 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -154.12 150.1 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.0 t -110.15 162.28 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.36 -35.36 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -60.93 -48.55 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 p -101.37 -38.97 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.21 43.61 5.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 39.6 tttp -115.93 149.89 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.35 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -148.67 138.1 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.9 -55.5 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -88.6 177.81 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -81.52 -58.99 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -40.72 -31.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -59.45 -45.49 91.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 6.9 tp -88.13 -40.43 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -41.01 -66.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.27 97.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.418 ' ND1' HG12 ' A' ' 68' ' ' VAL . 86.5 t60 -44.94 -48.29 11.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.819 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -38.82 -37.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -61.08 -52.34 65.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG12 ' ND1' ' A' ' 65' ' ' HIS . 3.8 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -136.37 139.59 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 8.5 t -92.03 74.13 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.4 p-10 -36.39 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' CYS . 23.7 mt-10 -48.12 -53.96 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 p -109.32 -48.47 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.26 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 37' ' ' HIS . 18.3 mtpt -99.18 172.16 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.4 p -147.65 147.81 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -141.07 161.24 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 m -81.17 -45.39 16.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -99.53 141.29 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.5 p -67.83 -46.99 70.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -44.94 -46.94 11.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -58.41 -57.71 11.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -49.21 -47.44 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -50.03 -49.47 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -63.27 -42.46 99.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.521 ' CE1' ' HE2' ' A' ' 26' ' ' LYS . 5.1 t60 -56.2 -54.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . 8.1 mtp180 -39.11 -28.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' HIS . 51.6 mtp85 -53.23 -46.67 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 t -44.4 -28.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 40.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.822 0.259 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.2 m-85 -123.71 132.49 53.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -162.18 140.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -89.45 158.6 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -100.12 -51.67 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -44.24 -63.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -81.44 -39.93 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.65 49.66 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -121.76 149.73 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.45 151.17 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -138.18 162.93 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.22 -57.24 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 15.4 mm100 -91.03 139.12 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 14.9 ptt-85 -53.05 -47.07 68.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -42.19 -41.89 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.8 m170 -53.52 -41.59 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 12.8 tp -83.25 -46.32 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.7 mt -43.66 -56.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.62 58.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.559 ' CE1' HG11 ' A' ' 68' ' ' VAL . 3.9 t60 -51.4 -39.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.565 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 4.3 m80 -45.02 -23.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -95.61 27.23 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 65' ' ' HIS . 13.0 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -141.58 142.4 33.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 14.7 t -93.11 77.63 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -34.54 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' CYS . 25.9 mm-40 -47.34 -56.82 6.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -103.77 -46.26 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.76 34.38 1.55 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -110.41 153.26 25.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 p -122.81 140.28 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -121.19 148.08 44.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -74.9 -40.05 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -106.71 113.41 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -40.79 -25.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' HIS . 9.8 m -62.28 -58.48 7.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.27 -56.9 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.4 tp -45.56 -61.36 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 18.0 t -39.7 -48.54 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -65.71 -48.51 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 38' ' ' ARG . 14.0 t60 -53.06 -54.88 28.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 35' ' ' SER . 7.5 mtt85 -37.03 -33.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' HIS . 64.6 mtp180 -48.84 -49.84 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 t -43.57 -23.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 53.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.804 0.252 . . . . 0.0 112.354 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -139.54 134.24 31.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -164.24 146.91 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.4 t -101.65 129.49 47.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.62 -41.25 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.56 -59.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -46.98 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.64 41.03 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -115.51 143.08 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.61 145.19 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 62' ' ' LEU . 6.9 m-85 -133.22 144.21 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -70.76 -62.81 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 13.6 mm100 -85.01 141.44 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -53.49 -50.22 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 88.4 p -42.74 -50.84 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m170 -40.65 -39.1 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 56' ' ' PHE . 20.0 tp -78.61 -41.43 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 60' ' ' SER . 74.8 mt -45.31 -50.46 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.64 -48.5 28.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.471 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 23.0 t60 -47.18 -45.94 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.459 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 8.5 m80 -38.92 -37.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -45.03 -54.65 6.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 65' ' ' HIS . 29.8 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 28.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -150.02 127.17 11.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 7.8 t -76.5 77.88 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.76 -31.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -46.92 -50.19 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.86 -45.97 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.05 31.54 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 12.9 tttp -101.54 163.02 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -131.65 143.49 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 20.4 m-85 -132.44 168.63 17.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -99.18 -38.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -110.73 112.85 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 79.5 p -39.9 -46.5 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 m -44.46 -44.16 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -60.2 -64.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.1 tp -34.2 -39.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.0 m -62.1 -56.57 17.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -58.05 -35.62 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' ARG . 6.8 t60 -58.66 -61.13 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -30.98 -46.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -39.78 -51.28 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' HIS . 12.9 t -42.02 -39.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.445 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 54.7 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.26 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 44.2 m-85 -151.69 138.05 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -153.99 132.91 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.7 t -94.35 102.37 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -54.49 -45.43 73.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -38.32 -62.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 65' ' ' HIS . 5.2 p -90.78 -52.73 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' CYS . . . 114.83 30.49 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -108.99 148.08 31.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.16 146.7 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.76 100.75 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -37.33 -47.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 8.7 tt0 -88.15 170.66 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 17.2 ttt180 -88.65 -52.89 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ILE . 82.8 p -49.2 -53.18 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 20.0 m170 -38.24 -35.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 21.5 tp -80.63 -42.31 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' SER . 50.1 mm -46.13 -44.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.03 -52.52 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' VAL . 4.0 t60 -47.48 -44.7 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.519 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 5.7 m80 -39.15 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' HIS . 11.5 mtp180 -86.38 30.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' HIS . 9.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -139.28 146.16 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -164.46 171.56 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.53 140.86 3.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -52.85 122.04 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -127.17 -54.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.25 -153.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 43.75 41.44 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -94.44 41.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -97.67 155.55 16.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -103.7 -41.84 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -136.54 120.87 18.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.4 123.31 45.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -126.39 72.75 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -84.44 150.09 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -46.64 163.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -45.55 142.78 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -50.92 -45.36 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 9.0 m-85 -127.75 93.9 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -143.11 145.62 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -93.33 142.9 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -93.02 -24.47 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.5 -59.63 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.95 -49.67 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.7 40.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -110.64 161.5 15.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 89.4 p -125.01 161.88 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 27' ' ' SER . 27.3 m-85 -145.96 155.02 42.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -78.24 -36.91 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -108.68 144.38 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.499 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 97.1 p -73.98 -34.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.19 -46.64 73.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 6.5 tp -58.54 -41.61 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 t -55.61 -43.63 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -70.44 -24.17 62.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.422 ' O ' ' CG2' ' A' ' 40' ' ' THR . 11.0 t60 -71.07 -54.35 11.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -42.29 -28.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -56.38 -44.27 80.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 10.2 t -50.67 -17.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -107.43 -34.93 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -172.76 143.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.94 70.64 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.6 pt-20 -131.17 -175.02 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' CG ' HG13 ' A' ' 57' ' ' ILE . 2.7 mppt? -34.64 136.85 0.37 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.5 Cg_endo -69.71 -0.27 6.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -131.68 143.42 50.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -162.8 120.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.2 t -69.5 161.73 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.63 -46.06 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 69' ' ' HIS . 69.9 mm-40 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.1 p -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.15 47.11 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.48 153.82 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.13 143.64 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' HG2' ' A' ' 45' ' ' LYS . 13.1 m-85 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.467 HG13 ' CG ' ' A' ' 45' ' ' LYS . 5.3 mp -88.06 -56.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.524 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 45.3 mm-40 -83.37 160.4 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 9.9 tpp180 -71.55 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 77.3 p -41.01 -39.65 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 18.0 m170 -48.8 -44.51 39.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 15.8 tp -84.87 -44.61 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.8 mt -44.74 -48.83 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.88 -41.09 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' HIS . 14.2 t60 -51.72 -47.22 64.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.431 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.7 m80 -36.82 -33.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' HIS . 25.7 mmm180 -43.98 -55.25 4.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 4.6 m -37.68 -34.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 51' ' ' GLU . 51.8 m-70 -101.66 133.86 45.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -58.4 138.81 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -122.81 104.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -158.35 127.28 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.16 49.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 130.77 19.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -100.92 161.14 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -152.36 146.84 25.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.51 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -130.81 -50.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 m 37.5 41.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.45 46.79 1.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -38.81 106.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m -128.54 161.91 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.86 110.67 3.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 7.4 tmm_? -80.65 131.7 35.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -131.61 139.88 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -141.98 143.82 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 6.9 p-90 -68.91 154.6 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 6.0 tm0? 51.8 42.32 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -126.09 93.14 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -41.31 146.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -65.31 -15.95 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.4 ptp180 36.01 50.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -100.48 154.94 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -51.69 -60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' CD1' ' HB3' ' A' ' 18' ' ' ARG . 18.6 m-85 -124.3 163.5 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -171.95 161.38 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.9 t -113.58 76.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.0 p-10 -37.2 -34.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.07 -54.61 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 p -109.11 -48.12 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.15 33.99 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -108.49 149.54 28.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 36.8 t -120.96 173.42 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 27' ' ' SER . 17.5 m-85 -158.97 149.23 19.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 m -71.97 -45.12 62.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.2 141.02 37.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.2 p -57.49 -46.71 83.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -46.18 -55.96 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -44.34 -60.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' CE1' ' A' ' 28' ' ' PHE . 18.5 tp -45.76 -45.81 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 t -52.22 -50.25 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -61.7 -43.45 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ARG . 9.5 t60 -49.55 -54.77 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -37.41 -44.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -42.75 -47.91 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -42.46 -43.56 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -52.62 -59.79 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.5 p -53.69 -47.8 70.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.56 -103.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 10.9 tp10 -48.77 165.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' GLU . 11.2 mptt -34.42 133.18 0.41 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 54.0 Cg_endo -69.73 0.04 6.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 64.4 m-85 -133.69 144.73 49.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -165.72 147.31 7.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -105.69 156.16 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -100.21 -45.02 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.97 -59.94 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.64 -47.99 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.82 48.21 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 52.5 tttt -122.8 160.63 25.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' LYS . . . -113.58 151.89 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -138.7 132.97 31.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.2 mp -70.39 -55.03 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.528 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 3.4 tp-100 -81.57 145.87 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.36 -50.56 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -51.71 -49.66 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 34.6 m170 -42.33 -29.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.4 tp -87.05 -49.31 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.2 mt -46.05 -45.58 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.57 -53.86 9.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' ARG . 9.4 t60 -45.5 -50.38 12.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.3 m170 -34.36 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' HIS . 16.8 mtt180 -44.14 -53.04 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 69' ' ' HIS . 18.5 m -36.85 -37.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.513 ' CG ' HG23 ' A' ' 68' ' ' VAL . 31.1 m-70 -100.38 170.26 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -92.02 -31.1 15.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.82 130.73 1.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -122.5 171.66 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.54 -170.2 16.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.06 4.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -69.68 -43.7 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 m -85.85 141.85 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -92.96 115.34 28.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -124.83 117.2 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.96 68.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -48.9 -62.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 68.63 42.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.38 115.67 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -92.4 41.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -133.32 126.46 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -75.81 132.47 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -92.09 133.12 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.71 40.91 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -75.05 -40.13 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -48.24 -45.48 34.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.15 134.33 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -121.32 136.07 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ARG . 29.2 ttt180 -85.78 171.47 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ARG . 3.8 tpm_? -34.45 -59.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 84.6 m-85 -127.76 99.85 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -114.4 155.22 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.3 t -102.66 78.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -37.98 -32.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' CYS . 43.8 mm-40 -49.09 -54.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 p -110.05 -47.51 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 32.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -105.02 152.96 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -126.2 139.55 53.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.49 144.6 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -62.13 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -110.97 134.46 52.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 76.3 p -58.06 -55.48 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m -37.88 -45.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.68 -45.47 94.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 42.8 tp -56.14 -42.59 77.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.1 t -50.56 -50.38 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -63.48 -40.31 96.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -53.4 -53.38 52.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -42.34 -37.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -41.26 -48.01 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 p -38.11 -53.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -66.61 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -39.11 97.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.12 -40.98 1.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 45' ' ' LYS . 57.4 mt-10 -118.77 -177.72 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' GLU . 27.4 mtmt -32.56 95.93 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.73 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -104.33 119.11 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -152.53 134.12 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -81.25 160.46 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.28 -45.2 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -53.35 -59.14 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -87.17 -45.26 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.93 6.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -92.91 165.31 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.12 160.61 21.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -153.27 151.16 29.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.6 mt -92.49 -51.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 20.3 mm-40 -91.79 151.56 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.06 -50.08 75.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.7 p -49.42 -48.86 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 21.3 m170 -42.64 -30.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' ILE . 39.0 tp -93.02 -51.78 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' LEU . 94.9 mt -37.76 -40.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' HIS . . . -73.51 -64.12 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' HIS . 39.0 t60 -34.72 -42.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 8.9 m80 -34.3 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' HIS . 21.2 ptt180 -36.4 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' HIS . 95.5 t -42.12 -52.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.38 139.01 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.7 t -101.91 39.54 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.69 89.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.0 p -76.8 -52.09 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.395 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -47.99 -64.21 3.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.62 23.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.5 p -78.14 133.92 37.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.4 p -94.69 163.53 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.51 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -154.49 160.1 41.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -161.44 173.79 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.27 -177.32 40.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -169.98 139.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 m -74.55 -61.64 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.79 -164.61 16.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -115.47 158.38 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 p -104.79 129.87 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.05 -56.78 8.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -59.52 141.87 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' GLN . 7.7 pt20 -131.17 39.1 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLN . 14.1 pt20 36.82 45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -52.46 -42.19 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 16' ' ' ARG . 44.1 tt0 -59.44 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' ' C ' ' A' ' 15' ' ' GLU . 8.2 mmm180 -148.26 124.24 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 1.3 mpt_? -135.39 174.65 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 26.2 tpt85 -45.56 -58.51 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 67.7 m-85 -106.93 115.28 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -137.89 129.17 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.52 138.68 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.22 -32.69 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.53 -53.7 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.2 p -110.22 -48.24 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.36 36.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -100.82 163.05 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -128.71 148.04 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -135.31 162.12 33.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -84.78 -43.09 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.68 147.67 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t -67.22 -51.97 46.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.7 t -44.7 -41.52 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.36 -47.67 81.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.63 -44.35 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.7 t -50.79 -46.06 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -65.89 -44.75 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -48.06 -53.27 16.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -39.28 -44.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' THR . 8.1 mmm180 -37.37 -48.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' ARG . 63.4 p -35.95 -47.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.45 90.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.5 p -111.82 -55.27 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.18 -99.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.425 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -60.5 178.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' GLU . 17.8 mtmt 35.06 54.98 2.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.73 1.13 4.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 82.3 m-85 -120.29 134.85 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -148.07 144.65 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -105.25 -38.76 6.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -63.74 -58.49 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 18.2 p -87.74 -45.81 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 92.73 47.22 3.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -117.43 151.55 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.24 148.52 25.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 61' ' ' HIS . 38.2 m-85 -132.38 175.79 8.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' HB ' ' CE1' ' A' ' 61' ' ' HIS . 38.8 mm -93.41 -71.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 77.9 mm-40 -89.08 155.95 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -55.33 -46.8 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -45.09 -41.51 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 56' ' ' PHE . 11.9 m170 -49.24 -43.44 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -80.02 -49.7 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.4 mt -39.76 -61.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.95 -44.53 61.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -44.59 -47.73 10.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.0 m80 -40.26 -38.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -54.66 -42.89 71.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 HG11 ' ND1' ' A' ' 69' ' ' HIS . 2.2 p -39.26 -31.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.42 ' ND1' HG11 ' A' ' 68' ' ' VAL . 35.9 m-70 -101.71 -70.44 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -128.36 -61.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.45 -100.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -118.76 85.11 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 55.43 -147.97 26.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 86.65 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -120.11 146.69 45.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 p -68.72 125.12 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.454 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -146.89 162.92 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -161.01 165.16 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 146.27 7.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -157.71 142.26 16.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.85 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -154.81 130.67 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.98 55.62 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -150.41 155.18 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -65.7 132.41 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.02 151.7 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -51.34 153.39 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -134.49 -59.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -134.8 130.79 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -81.96 -43.8 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -161.16 136.4 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.57 149.06 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ARG . 16.9 mmt180 -148.24 147.15 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.7 ttm180 -34.54 -59.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -134.48 124.78 26.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -123.22 162.41 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ASP . 12.8 t -110.6 80.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 22.8 t70 -36.58 -36.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.93 -54.61 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.57 -43.23 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.22 34.44 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -108.02 149.09 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 p -117.93 145.58 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' CZ ' ' CG ' ' A' ' 37' ' ' HIS . 17.0 m-85 -126.13 160.8 29.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -82.61 -37.67 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -109.0 122.31 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -51.5 -52.36 47.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -44.46 -46.24 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -61.02 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 tp -38.09 -37.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -56.57 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -58.15 -34.0 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.429 ' O ' ' CG2' ' A' ' 40' ' ' THR . 9.4 t60 -60.18 -50.64 72.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.92 -29.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.82 -41.0 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 9.8 t -51.58 -22.8 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -80.3 85.18 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -117.18 139.5 50.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.95 178.44 15.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.48 36.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -123.27 76.87 52.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.77 -3.53 12.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.3 m-85 -112.59 140.63 47.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -172.26 149.9 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 23.9 t -101.39 160.78 14.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t0 -100.92 -55.43 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 74.3 mm-40 -41.49 -64.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.48 -47.67 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.59 64.27 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 35.9 tttp -136.19 138.67 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.32 155.92 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' LYS . 7.8 m-85 -144.41 143.85 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.49 -53.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -100.89 137.43 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 60' ' ' SER . 19.8 tpt180 -51.45 -57.81 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 m -34.52 -49.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -45.87 -47.72 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 30.4 tp -75.84 -39.71 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 43.9 mm -37.61 -59.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.47 41.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.2 t60 -38.93 -46.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 20.1 m80 -34.34 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' HIS . 23.9 mtp180 -35.84 -51.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 69' ' ' HIS . 31.9 m -35.4 -48.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.474 ' CG ' HG22 ' A' ' 68' ' ' VAL . 44.6 m-70 -92.21 143.38 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -68.79 -28.54 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.01 78.36 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.1 m -151.44 151.98 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.03 -98.34 2.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.33 66.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t -61.64 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 m 46.22 44.3 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.486 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -138.85 175.32 9.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 m -73.18 164.74 26.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.32 -151.1 5.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -97.74 135.27 39.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -83.48 42.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.03 -156.21 33.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.435 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -153.39 121.89 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -133.74 168.82 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.22 95.91 9.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -169.12 165.24 11.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 53.9 37.25 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -81.07 117.78 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -91.51 91.22 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.34 156.01 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -122.6 121.39 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -122.46 160.27 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -39.67 -54.12 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 14.6 m-85 -133.05 137.19 46.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -142.88 120.6 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 15.6 t -69.58 74.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.3 p-10 -34.59 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' CYS . 47.2 mt-10 -49.04 -52.18 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 p -107.46 -50.09 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.23 26.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -103.19 152.88 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.3 p -120.64 141.03 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.46 154.76 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -79.01 -41.26 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -109.1 127.52 54.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 75.5 p -48.7 -39.04 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.6 m -51.4 -59.59 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -58.71 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 11.1 tp -44.67 -58.4 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.419 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 47.1 t -43.88 -53.13 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -61.49 -36.67 81.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' ARG . 6.3 t60 -65.03 -58.2 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' HIS . 8.0 mtt85 -34.93 -38.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' HIS . 28.9 mtp180 -52.87 -48.86 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' HIS . 15.3 t -37.3 -33.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' THR . 80.3 m-70 -62.28 -55.45 28.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' HIS . 0.8 OUTLIER 37.36 38.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.2 162.23 28.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -99.95 38.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -101.12 106.31 44.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.3 Cg_endo -69.78 0.44 5.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.538 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 39.2 m-85 -124.14 142.2 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.29 108.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.63 144.05 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.92 -40.96 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -49.49 -66.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.8 -46.99 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.05 33.86 5.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 55' ' ' ALA . 1.6 tmtt? -105.82 150.69 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' A' ' 54' ' ' LYS . . . -112.1 149.75 31.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.038 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -135.62 152.58 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.0 mt -85.64 -56.61 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 3.0 mp0 -78.46 173.87 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -83.94 -53.19 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.9 p -55.81 -19.66 12.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 35.1 m170 -63.38 -26.85 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 26.2 tp -98.62 -39.92 8.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.3 mt -49.54 -42.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.79 7.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.6 t60 -50.33 -44.19 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.1 m80 -36.33 -34.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 8.6 ptm180 -40.52 -47.05 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 69' ' ' HIS . 19.0 m -41.63 -41.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 51' ' ' GLU . 51.5 m-70 -98.01 173.47 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 p -132.2 84.14 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.58 -157.73 15.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -173.93 161.05 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.32 144.79 3.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -14.87 36.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 p -52.24 142.45 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -125.3 112.56 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.489 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -158.03 156.46 31.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -144.34 136.99 26.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 72.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -66.76 -57.37 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -44.27 143.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 119.73 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 6.1 tpm_? -130.66 141.25 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -130.89 111.88 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -64.9 119.12 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -63.33 145.9 54.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.36 40.95 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -65.16 134.6 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -87.36 89.95 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -50.7 119.86 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -63.61 -7.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 14.8 ptt180 -111.57 141.84 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -73.96 -59.52 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 54.1 m-85 -124.02 153.03 41.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 17' ' ' ARG . 39.8 tttp -157.4 136.45 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -84.63 79.45 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.34 -25.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.59 -58.55 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 p -99.95 -49.08 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.66 34.26 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -107.72 157.4 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.4 p -126.73 150.9 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.52 146.86 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -72.76 -40.08 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.51 134.67 50.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 37.4 p -57.4 -47.14 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -44.52 -62.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -38.64 -58.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 16.7 tp -46.81 -46.16 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 t -45.49 -45.57 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -37.49 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' CG2' ' A' ' 40' ' ' THR . 47.2 t60 -58.1 -45.98 86.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -46.72 -28.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -54.38 -42.32 70.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 13.5 t -56.5 -23.34 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -95.98 99.93 11.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 p -114.35 163.76 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.99 145.78 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.7 98.86 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' CD ' ' N ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -107.46 141.45 23.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.73 1.97 3.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 53.6 m-85 -139.74 138.5 35.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -160.08 144.15 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 34.0 t -95.01 143.84 26.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.47 -44.72 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -47.27 -59.81 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.45 -46.66 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.22 32.5 5.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HD2' ' CE2' ' A' ' 56' ' ' PHE . 15.7 ttmt -111.37 151.62 28.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.7 159.9 15.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 4.1 m-85 -148.13 133.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -61.88 -61.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.442 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.2 mt-30 -87.01 146.28 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 6.3 ptm180 -58.05 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 t -46.61 -48.57 19.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.442 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.3 m170 -44.16 -33.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 5.9 tp -91.74 -43.3 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.7 mt -48.94 -41.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.31 -38.77 10.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' A' ' 68' ' ' VAL . 1.8 t60 -46.46 -36.91 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -40.71 -27.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' HIS . 18.2 ptp180 -56.47 -47.08 79.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 HG21 ' CE1' ' A' ' 65' ' ' HIS . 27.4 m -43.44 -30.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -89.71 -53.34 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -104.73 103.81 13.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.58 -51.66 0.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' GLY . 34.2 t -84.49 162.56 19.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -36.0 114.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -94.21 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.8 m -65.62 -53.63 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.468 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -148.57 170.85 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -168.99 142.36 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.75 -176.34 20.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -142.64 148.65 37.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -152.24 154.05 34.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.97 -155.18 7.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -116.24 119.0 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -72.36 114.59 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -98.52 136.4 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -125.01 -43.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' N ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -35.95 142.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.9 80.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -54.85 106.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -52.36 141.22 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -144.08 142.85 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.43 -175.65 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -61.97 -50.65 71.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 2.9 m-85 -92.25 159.94 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -166.69 133.37 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.2 t -89.22 75.82 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -38.75 -28.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' CYS . 9.3 mp0 -50.89 -48.34 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -50.38 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.21 15.84 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -85.28 171.52 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.605 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 58.5 p -147.17 146.3 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -146.55 126.08 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -57.98 -33.78 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -97.67 128.7 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 96.9 p -64.59 -52.4 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -46.1 -50.2 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.94 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.44 -43.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.7 t -52.26 -43.73 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.67 -25.26 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -69.61 -52.65 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -26.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.2 mmm180 -57.37 -47.84 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 t -43.95 -25.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -69.84 89.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 p -135.62 109.87 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.0 -139.9 15.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -110.41 15.91 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -116.38 73.0 5.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.701 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 61.5 m-85 -118.5 136.35 53.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -157.66 143.75 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.05 158.86 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -107.96 -26.93 10.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.79 -40.17 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 15.4 p -111.64 -46.27 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 95.07 56.67 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 5.0 ttpm? -125.97 131.01 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.07 136.69 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 82.2 m-85 -123.48 109.94 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -49.76 -50.72 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 31.2 mm-40 -91.49 175.67 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -86.86 -52.87 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -49.67 -48.2 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 24.3 m170 -44.99 -29.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 tp -87.14 -44.11 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -46.2 -55.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.3 -40.92 94.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -48.41 -41.36 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -44.4 -26.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -51.53 -48.48 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.57 HG23 ' CE1' ' A' ' 69' ' ' HIS . 15.4 m -50.16 -21.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.57 ' CE1' HG23 ' A' ' 68' ' ' VAL . 23.5 m-70 -120.18 107.18 12.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 p -58.49 164.44 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.19 149.8 17.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -130.97 112.77 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.4 -65.69 2.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.4 p -102.75 137.5 40.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.2 m -153.4 152.46 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.458 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -163.88 115.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 131.32 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.82 -166.45 34.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -144.54 138.41 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -99.24 135.23 40.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.39 134.39 6.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -54.85 155.85 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -121.97 160.7 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -149.84 139.51 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -136.19 174.96 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.98 127.81 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -98.34 161.49 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -49.63 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.39 144.43 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -121.68 110.49 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -149.11 158.15 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -69.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -121.7 141.94 50.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 21' ' ' CYS . 42.5 tttm -146.24 161.96 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 7.2 t -115.16 77.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -39.54 -30.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -50.18 -54.09 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 p -110.58 -50.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.77 31.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.538 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -105.61 153.0 22.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 27.0 p -125.37 164.25 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' SER . 21.7 m-85 -149.98 177.32 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -100.22 -41.57 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -103.31 139.02 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.3 p -64.05 -46.9 82.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -51.26 -47.05 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.88 -54.4 46.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 5.7 tp -53.31 -42.36 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -51.61 -49.28 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -65.07 -28.41 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.405 ' O ' ' CG2' ' A' ' 40' ' ' THR . 7.3 t60 -68.64 -40.62 80.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -62.67 -36.31 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -56.69 -41.42 77.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 1.9 t -50.33 -19.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -72.32 -34.29 67.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -42.55 137.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.39 143.52 4.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -89.16 101.7 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 142.05 23.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo -69.81 -3.28 11.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.8 m-85 -141.01 129.73 22.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -148.24 136.33 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.2 163.62 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -109.55 -40.93 4.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' CB ' ' CE1' ' A' ' 69' ' ' HIS . 58.2 mt-10 -58.3 -52.9 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 19.9 p -99.36 -40.25 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.49 35.35 6.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 16.4 tptm -89.74 151.39 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.13 139.99 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 54' ' ' LYS . 4.2 m-85 -141.14 156.05 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.33 -53.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.574 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 40.7 tp60 -83.02 151.73 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -63.62 -45.37 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -54.98 -42.05 71.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 58' ' ' GLN . 36.4 m170 -49.02 -25.95 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.39 -39.59 9.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.82 -40.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.4 -43.94 23.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -48.53 -26.88 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -53.74 -33.62 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -87.66 27.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -104.53 -55.45 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 52' ' ' CYS . 86.9 m-70 -52.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.4 m 66.88 33.42 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.04 -84.17 0.37 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 p -173.41 155.31 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.18 74.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 118.76 5.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t -82.45 -54.75 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -156.73 150.1 24.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.466 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 66.0 42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -48.55 153.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.28 177.59 14.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -154.46 155.93 35.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -110.24 166.8 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 72.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -65.38 159.65 23.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -130.41 149.46 52.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -83.96 148.12 27.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -153.88 173.73 15.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -54.74 -48.78 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 40.32 45.4 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -107.02 -52.05 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -55.9 148.93 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -144.79 140.0 28.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -110.14 176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -123.88 -54.78 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -95.0 150.51 20.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -148.94 134.78 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.1 t -84.29 73.07 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.5 m-20 -35.9 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' CYS . 5.3 mp0 -49.82 -51.67 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' O ' ' NE ' ' A' ' 59' ' ' ARG . 11.8 p -110.06 -50.0 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.35 22.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -92.75 167.11 12.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.2 p -142.36 137.55 30.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -123.94 165.05 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -88.86 -35.63 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -113.59 121.82 45.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -49.14 -48.93 44.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -42.36 -52.77 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.55 -50.48 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.7 tp -50.45 -39.96 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -57.03 -41.67 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -69.77 -33.48 72.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' ARG . 16.0 t60 -61.66 -54.91 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -40.6 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' HIS . 53.8 mtp180 -63.91 -45.09 90.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.481 HG21 ' N ' ' A' ' 41' ' ' HIS . 8.6 t -47.0 -24.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 46' ' ' PRO . 73.1 m-70 -75.51 -58.53 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -62.34 84.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.79 -101.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -177.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.99 144.37 1.09 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.79 -5.15 15.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.7 m-85 -134.19 138.56 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -170.88 118.28 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.39 163.79 24.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.16 -41.65 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.18 -49.72 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.69 34.68 4.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -107.85 151.53 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 56' ' ' PHE . . . -100.2 167.76 10.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 55' ' ' ALA . 64.7 m-85 -156.15 135.8 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.07 -45.76 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -101.23 159.78 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 24' ' ' CYS . 47.6 ttt180 -74.45 -56.62 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.487 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 72.8 m -38.95 -48.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -48.07 -42.98 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 66' ' ' HIS . 8.8 tp -77.47 -34.98 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 50.2 mm -44.62 -60.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.11 95.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.539 ' CE1' HG12 ' A' ' 68' ' ' VAL . 25.3 t60 -52.3 -40.02 61.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.463 ' CE1' HD13 ' A' ' 62' ' ' LEU . 4.0 m80 -45.84 -27.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 67' ' ' ARG . 7.7 mtp-105 -89.17 29.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 65' ' ' HIS . 12.4 p -103.97 -20.21 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.419 ' CD2' HG13 ' A' ' 68' ' ' VAL . 61.7 m-70 -105.61 -59.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -143.86 130.76 20.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.64 77.65 0.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -108.56 -46.49 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.75 155.51 16.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 3.1 2.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t 74.37 46.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.4 p 39.05 43.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.482 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -111.96 -47.65 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 62.97 41.71 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.21 69.55 1.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -97.76 -51.96 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 m -103.24 103.79 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.02 -139.76 4.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.58 151.43 38.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -166.54 165.72 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.97 160.35 21.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.53 -46.74 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.28 155.4 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -122.6 -40.84 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -119.82 127.62 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -82.07 -75.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -139.72 118.08 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 28' ' ' PHE . 5.1 mtp180 -131.39 176.59 8.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -132.42 -60.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.65 137.79 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -143.96 129.97 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -75.28 145.17 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -96.37 -29.31 14.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.43 -44.5 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.14 -52.94 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 17.9 1.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -72.07 163.49 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -134.6 145.39 48.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 34' ' ' LEU . 5.4 m-85 -142.87 167.06 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -94.95 -44.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -99.93 151.32 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -73.43 -48.12 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -47.21 -41.91 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -60.82 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' A' ' 28' ' ' PHE . 33.1 tp -44.55 -53.7 6.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 t -45.27 -39.19 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -73.0 -39.2 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' ARG . 8.5 t60 -54.78 -58.79 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -35.45 -43.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' THR . 49.2 mtm180 -39.04 -52.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' HIS . 68.8 p -37.93 -55.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' THR . 65.6 m-70 -34.52 -49.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.2 t -99.1 142.87 30.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.29 -106.4 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -134.13 -52.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CG ' HG13 ' A' ' 57' ' ' ILE . 1.3 mppt? -103.48 144.02 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.82 -5.32 15.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.9 m-85 -129.09 139.34 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -158.79 121.39 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.71 120.57 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -38.18 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -44.41 -50.7 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.8 p -105.26 -47.4 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.38 34.14 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -107.59 147.92 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.22 147.58 31.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 62' ' ' LEU . 14.4 m-85 -130.91 140.46 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.462 HG13 ' CG ' ' A' ' 45' ' ' LYS . 5.3 mp -82.24 -48.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.0 mt-30 -92.41 173.7 7.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tpp180 -78.4 -54.41 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 p -55.8 -25.7 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m170 -59.23 -28.46 66.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 56' ' ' PHE . 14.9 tp -100.94 -43.78 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.0 mt -45.18 -30.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.46 -56.24 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' HIS . 24.5 t60 -43.59 -44.48 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' HIS . 5.6 m80 -34.65 -60.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -40.79 -42.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' HIS . 89.1 t -39.29 -51.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -77.41 160.55 28.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLY . 86.0 m -106.81 91.42 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -35.43 -71.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t 67.44 42.94 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.07 -65.64 1.79 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -11.22 30.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -92.25 144.24 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 m -56.17 152.07 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -165.8 173.45 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -137.56 175.29 9.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.44 128.44 6.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -105.26 148.23 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -69.35 176.74 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.55 160.56 30.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -140.23 165.24 27.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 t -147.94 116.1 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -127.1 147.17 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -65.92 171.73 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -83.92 -59.79 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -144.84 143.49 30.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -102.54 140.56 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -76.14 126.27 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -84.48 136.95 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmt-85 -146.52 169.15 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -59.98 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -109.15 138.11 46.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -143.71 128.13 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.2 151.11 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 -24.5 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.69 -50.8 72.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.18 -48.27 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.25 31.64 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 40.0 tttt -94.59 163.73 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.4 p -129.04 147.1 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.533 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 51.7 m-85 -136.21 168.19 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.7 m -89.91 -42.9 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -102.19 146.47 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -70.82 -44.36 66.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -54.57 -48.98 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -55.28 -42.34 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD11 ' NE ' ' A' ' 38' ' ' ARG . 9.9 tp -59.27 -43.07 92.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -51.92 -53.9 35.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -59.8 -40.94 90.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -51.4 -46.75 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' NE ' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -44.43 -43.22 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' THR . 58.5 mtp180 -44.93 -48.43 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ARG . 80.4 p -37.26 -35.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -77.83 61.74 2.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 p -134.75 81.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -177.64 -178.16 47.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' LYS . 39.6 mt-10 -85.14 -41.46 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -35.47 98.17 0.14 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.565 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.78 -8.59 24.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.9 m-85 -116.47 149.74 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 49' ' ' CYS . 27.9 tttt -171.06 150.65 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 14.3 t -103.98 166.64 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.48 -64.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CD ' ' CD2' ' A' ' 69' ' ' HIS . 4.5 pt-20 -43.41 -61.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 p -82.24 -39.36 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.58 51.06 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -115.29 144.47 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.86 153.99 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 22.9 m-85 -139.42 114.99 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.8 mp -54.77 -50.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -102.88 168.27 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 18.8 ttm180 -76.65 -46.26 26.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.94 -31.22 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -61.9 -30.36 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.5 tp -91.45 -35.48 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.2 mt -46.11 -45.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.76 -35.27 40.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -50.64 -35.17 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -55.85 -32.19 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -83.04 19.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.59 -40.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 51' ' ' GLU . 90.3 m-70 -82.65 126.25 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -113.32 111.96 22.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 148.2 -134.72 5.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.6 p -168.45 154.03 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.6 124.66 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 132.57 23.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -77.0 -45.12 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.8 t -153.94 113.17 3.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.472 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -132.23 145.33 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -94.72 -58.92 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.38 171.69 44.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 p -164.8 130.99 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -123.69 176.7 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.52 176.07 17.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -165.12 136.22 4.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -134.34 132.39 39.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -123.05 109.78 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -119.09 153.27 35.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 72.55 42.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -126.43 86.5 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ttp-105 -71.22 162.72 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -109.72 111.34 22.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -134.64 88.02 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -103.73 -176.64 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -96.76 -47.62 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 3.9 m-85 -109.23 152.94 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -153.33 166.02 33.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 9.5 t -116.99 74.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 16.9 t70 -37.32 -34.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -46.97 -50.57 18.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.09 -48.49 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.57 33.18 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -104.4 153.07 21.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 p -125.75 149.15 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' A' ' 34' ' ' LEU . 6.1 m-85 -137.0 149.68 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 m -78.29 -38.84 41.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.75 120.07 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.481 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 45.0 t -51.97 -47.94 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.37 -44.58 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.2 -60.66 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 28' ' ' PHE . 19.0 tp -38.14 -36.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.3 m -62.48 -56.09 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 19.8 pttt -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 39' ' ' ARG . 20.8 t60 -57.77 -57.85 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.84 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' LYS . 2.1 mmp_? -57.54 -46.11 84.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.0 t -43.81 -26.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.56 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 94.2 m-70 -83.69 83.69 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.0 p -124.97 -20.48 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.3 58.7 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -111.71 -52.3 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -102.17 122.66 46.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.72 -6.22 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.409 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.0 m-85 -121.15 137.13 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.56 ' HE2' ' CE1' ' A' ' 41' ' ' HIS . 23.5 tttp -169.12 129.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.61 146.33 27.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.6 -53.44 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.8 -67.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 p -76.79 -53.1 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.41 38.05 2.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -113.94 158.46 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.21 160.78 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 62' ' ' LEU . 20.9 m-85 -147.28 132.8 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.01 -49.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 14.1 mm-40 -90.41 164.35 14.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 5.6 t -41.88 -53.3 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 32.2 m170 -36.46 -42.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 7.2 tp -84.16 -33.94 24.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 47.5 mm -48.58 -57.12 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -41.5 82.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.529 ' CE1' HG13 ' A' ' 68' ' ' VAL . 10.9 t60 -48.98 -41.88 35.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.432 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 12.9 m80 -38.97 -31.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -84.45 29.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.529 HG13 ' CE1' ' A' ' 65' ' ' HIS . 7.3 p -99.19 -13.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' CD2' HG12 ' A' ' 68' ' ' VAL . 51.8 m-70 -110.28 80.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.4 p -87.52 -37.75 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.49 97.31 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.3 t -122.7 -58.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.54 71.68 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 164.29 35.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -75.01 165.21 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.5 m -103.3 -56.32 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.465 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -121.78 150.84 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -151.08 177.09 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.34 -141.01 10.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -157.56 171.21 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -61.69 157.78 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.77 137.91 5.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -96.42 161.36 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -77.89 105.24 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -100.68 83.19 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -47.28 -60.67 2.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.4 140.31 45.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -127.83 -50.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -154.91 111.1 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' ARG . 54.6 mt-10 -37.72 139.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 132.88 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtt85 -151.96 172.28 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -65.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.11 154.36 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -150.72 156.54 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 t -109.95 76.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -39.0 -31.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.78 -55.17 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.3 -49.89 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.08 24.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -94.96 168.69 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -141.99 143.89 33.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 34' ' ' LEU . 27.5 m-85 -129.34 168.97 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.2 m -93.64 -41.5 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -111.11 131.95 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.4 p -50.29 -47.28 55.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 m -45.46 -46.55 13.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -56.9 -56.46 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 28' ' ' PHE . 36.9 tp -50.88 -51.14 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -45.77 -43.45 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -68.31 -37.1 80.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ARG . 28.2 t60 -61.57 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -35.95 -36.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -53.94 -48.61 70.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' HIS . 74.1 p -40.81 -33.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -75.84 60.66 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -134.84 74.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.37 42.07 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.4 tt0 -149.85 176.01 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' GLU . 31.1 mttp -33.41 96.85 0.1 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.519 0.676 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.2 Cg_endo -69.84 2.29 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.3 m-85 -121.66 138.23 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -170.1 117.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.0 t -73.49 152.44 40.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.2 -41.38 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.29 -49.13 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -98.24 -40.57 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.11 42.68 4.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -117.55 145.51 44.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.85 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 7.2 m-85 -131.12 157.43 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.31 -51.28 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.554 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 59.3 mm-40 -95.94 161.8 13.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -69.34 -58.72 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 p -43.54 -37.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 13.6 m170 -55.32 -39.55 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 tp -89.55 -50.39 6.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.9 mt -37.44 -56.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.29 -45.39 86.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -41.43 -42.21 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -37.99 -53.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' VAL . 30.0 mtp180 -47.13 -48.06 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' ARG . 61.3 t -36.96 -49.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -73.68 154.95 39.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 p -117.39 111.99 20.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.54 155.83 26.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 m -119.33 41.53 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.45 -144.77 36.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 173.68 10.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.5 t -51.44 114.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.6 t -58.97 155.78 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.469 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -137.21 168.28 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -154.08 174.97 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.19 158.82 28.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -170.39 148.27 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -85.25 151.69 23.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.07 -154.33 8.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -110.98 107.71 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -67.96 112.71 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.98 79.57 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 12' ' ' GLN . 37.4 p-90 -78.67 -46.66 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 30.4 tt0 -77.23 108.0 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -110.55 -35.59 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 55.73 46.64 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.43 110.06 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -102.06 138.8 38.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -130.33 167.12 19.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.13 -55.23 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -96.55 156.43 16.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -152.34 133.42 14.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.21 107.96 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.48 41.74 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.61 -42.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.2 -48.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.78 41.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -107.4 167.27 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -142.08 146.08 35.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -136.36 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -81.28 -44.17 18.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -105.28 150.31 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -70.07 -48.7 56.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -44.87 -48.4 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.36 -60.17 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.2 tp -45.81 -54.77 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -43.16 -39.72 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -73.22 -50.02 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 14.2 t60 -44.18 -57.68 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -36.25 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' HIS . 57.8 mtt180 -50.21 -49.62 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 4.0 t -42.34 -27.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -80.17 85.77 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.1 p -121.06 -45.73 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.39 48.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.65 26.85 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -138.8 119.43 9.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.76 -4.91 14.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 59' ' ' ARG . 32.3 m-85 -115.5 154.35 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.09 147.83 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 36.9 t -102.68 161.96 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 18.9 m-20 -105.16 -47.18 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.09 -60.35 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 28.4 p -83.47 -39.86 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.76 41.8 7.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -116.88 152.63 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.51 150.55 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.46 148.34 47.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.5 mt -74.49 -58.72 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.547 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 55.4 mm-40 -90.2 139.54 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 4.9 ptm180 -55.61 -46.7 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 40.0 t -47.21 -49.3 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.8 m170 -43.58 -37.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -85.22 -39.65 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 60' ' ' SER . 75.9 mt -44.78 -57.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.54 83.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -50.72 -35.34 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -51.12 -32.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -84.32 27.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.9 -54.98 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.494 ' CE1' ' HB3' ' A' ' 52' ' ' CYS . 69.8 m-70 -58.49 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -97.53 -49.66 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.99 153.44 16.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -94.15 -50.55 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.63 -119.2 5.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 96.06 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.2 m -65.57 170.61 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -73.5 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.466 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -171.1 137.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -159.16 154.5 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.16 143.69 3.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -159.3 165.0 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.821 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -164.39 135.01 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.13 120.0 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -70.41 98.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 10' ' ' GLU . 26.5 m -148.05 165.42 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -34.47 112.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.555 ' CE3' ' HG3' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -143.2 137.68 29.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' HG3' ' CE3' ' A' ' 11' ' ' TRP . 21.0 mt-30 63.44 42.07 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.41 96.75 7.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -85.81 118.79 25.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -98.51 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -101.42 139.43 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -126.74 174.78 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -73.85 -46.13 46.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 4.2 m-85 -103.99 150.76 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -162.96 121.64 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.59 84.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.92 -28.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.21 -50.31 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.69 -44.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 22.15 2.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -92.3 165.06 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -136.53 161.35 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -148.78 147.43 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.4 m -78.31 -33.46 49.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.44 116.9 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 77.1 p -45.32 -48.15 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -44.38 -57.74 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.99 -63.91 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' HIS . 2.3 tp -39.1 -61.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' LEU . 37.2 m -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -65.59 -39.83 92.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' LEU . 21.1 t60 -64.18 -47.53 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HE ' ' CG ' ' A' ' 34' ' ' LEU . 11.9 mtt180 -42.93 -29.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' HIS . 84.5 mtt180 -57.28 -42.7 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 37' ' ' HIS . 9.1 t -44.14 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 66.6 m-70 -91.36 54.49 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.1 p -133.46 -54.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.22 44.67 0.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -147.5 166.56 26.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -50.41 139.87 19.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.74 -2.08 9.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 45.6 m-85 -139.31 121.37 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -139.94 115.55 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.5 t -79.8 118.4 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.66 -39.94 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -42.42 -54.75 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -101.77 -45.11 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.14 31.62 3.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tttp -101.75 149.16 24.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.82 142.5 46.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.0 m-85 -139.83 149.43 43.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.71 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.53 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 11.2 tp60 -64.9 174.07 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 11.2 tpp180 -86.75 -57.94 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.3 t -51.66 -47.17 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 27.9 m170 -34.48 -34.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' SER . 23.0 tp -93.86 -38.98 10.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' SER . 40.6 mm -49.19 -36.57 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.67 -44.24 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -49.3 -42.6 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ARG . 11.0 m80 -38.15 -35.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 22.5 ptt180 -37.45 -46.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG23 ' CG ' ' A' ' 69' ' ' HIS . 33.5 m -45.11 -50.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.495 ' CG ' HG23 ' A' ' 68' ' ' VAL . 29.7 m-70 -91.06 170.03 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 m -154.18 126.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -152.1 -167.27 14.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.8 p -98.52 128.63 44.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.54 -157.25 22.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 89.06 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -169.02 141.0 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t -119.48 126.91 52.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.514 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -92.2 42.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -112.0 99.39 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.89 -75.52 0.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -114.62 122.1 45.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -62.99 132.56 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 159.18 21.39 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -117.98 110.5 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 p -113.32 93.27 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.92 96.24 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -69.94 -39.48 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TRP . 24.1 mp0 -34.87 -49.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -85.78 92.6 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -92.95 125.66 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -49.91 168.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -118.25 178.64 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -137.47 148.63 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -109.2 -53.42 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 25.7 m-85 -104.57 158.81 16.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -153.4 146.67 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.6 t -102.46 77.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -39.06 -30.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 mm-40 -49.37 -46.83 47.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -119.83 -46.52 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.25 11.25 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.77 164.59 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.1 p -143.91 133.48 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 26' ' ' LYS . 5.7 m-85 -131.72 144.32 50.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m -67.88 -45.08 75.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -99.66 145.47 27.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 87.6 p -68.81 -53.33 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -40.56 -51.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -52.7 60.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 28' ' ' PHE . 25.5 tp -49.98 -39.8 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -39.86 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.5 t60 -72.57 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -36.7 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' HIS . 82.2 mtp180 -63.55 -47.57 81.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' HIS . 3.6 t -43.72 -28.94 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 59.4 m-70 -52.58 -49.74 64.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -104.02 139.25 39.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.0 36.06 92.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -170.99 175.72 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -68.73 143.65 95.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo -69.77 1.02 4.82 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.322 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 57.6 m-85 -139.24 138.2 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -154.12 150.1 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.0 t -110.15 162.28 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.36 -35.36 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 53.3 mm-40 -60.93 -48.55 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 p -101.37 -38.97 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.21 43.61 5.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 39.6 tttp -115.93 149.89 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.35 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -148.67 138.1 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.9 -55.5 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -88.6 177.81 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -81.52 -58.99 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -40.72 -31.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -59.45 -45.49 91.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 6.9 tp -88.13 -40.43 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -41.01 -66.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.27 97.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.418 ' ND1' HG12 ' A' ' 68' ' ' VAL . 86.5 t60 -44.94 -48.29 11.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.819 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -38.82 -37.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -61.08 -52.34 65.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 69' ' ' HIS . 3.8 p -45.51 -25.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 51' ' ' GLU . 17.1 m-70 -96.09 154.01 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -64.93 130.66 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.77 -174.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -70.8 175.93 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.32 -113.71 3.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 135.66 30.91 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -112.53 114.34 26.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -81.29 114.44 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.474 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -151.77 173.27 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.352 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -140.86 156.51 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.65 -162.92 9.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -44.16 151.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -102.5 -49.12 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.09 152.06 17.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.6 ptm180 -162.39 164.97 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' ARG . 22.1 m -34.62 145.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 11' ' ' TRP . 7.6 tp10 -82.95 152.27 25.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.452 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -94.44 68.49 3.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -145.0 106.97 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -143.45 127.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 58.18 50.68 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -47.7 136.0 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -145.99 119.97 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -144.02 176.3 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -124.22 -61.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -136.37 139.59 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 8.5 t -92.03 74.13 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.4 p-10 -36.39 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' CYS . 23.7 mt-10 -48.12 -53.96 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 p -109.32 -48.47 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.26 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 37' ' ' HIS . 18.3 mtpt -99.18 172.16 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.4 p -147.65 147.81 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -141.07 161.24 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 m -81.17 -45.39 16.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -99.53 141.29 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.5 p -67.83 -46.99 70.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -44.94 -46.94 11.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -58.41 -57.71 11.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -49.21 -47.44 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -50.03 -49.47 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -63.27 -42.46 99.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.521 ' CE1' ' HE2' ' A' ' 26' ' ' LYS . 5.1 t60 -56.2 -54.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . 8.1 mtp180 -39.11 -28.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' HIS . 51.6 mtp85 -53.23 -46.67 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.7 t -44.4 -28.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 40.6 m-70 -74.71 79.6 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.5 t -171.79 127.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.08 -165.68 13.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -99.95 44.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.29 79.11 1.54 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.75 -3.69 12.52 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.365 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.2 m-85 -123.71 132.49 53.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -162.18 140.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -89.45 158.6 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -100.12 -51.67 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -44.24 -63.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -81.44 -39.93 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.65 49.66 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -121.76 149.73 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.45 151.17 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -138.18 162.93 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.22 -57.24 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 15.4 mm100 -91.03 139.12 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 14.9 ptt-85 -53.05 -47.07 68.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -42.19 -41.89 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.8 m170 -53.52 -41.59 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 12.8 tp -83.25 -46.32 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.7 mt -43.66 -56.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.62 58.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.559 ' CE1' HG11 ' A' ' 68' ' ' VAL . 3.9 t60 -51.4 -39.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.565 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 4.3 m80 -45.02 -23.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -95.61 27.23 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 65' ' ' HIS . 13.0 p -96.18 -34.5 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -94.03 131.48 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -124.18 140.59 52.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.79 72.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 t -73.75 114.47 12.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 53.6 -149.69 13.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.54 34.19 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.7 t -41.52 120.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' GLY . 12.3 m -39.82 -58.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -168.63 171.66 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -139.98 144.67 37.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.01 133.29 24.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -81.63 177.07 9.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.919 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -72.9 100.81 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.65 -107.86 2.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -56.23 132.59 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 t -92.2 41.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -115.82 98.58 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -138.93 133.5 31.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -134.95 41.43 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -148.88 165.0 32.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -61.18 128.08 34.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -50.96 151.04 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -48.76 -44.69 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 mmt-85 -93.52 154.96 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -63.2 -39.39 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.56 139.95 23.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -141.58 142.4 33.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 14.7 t -93.11 77.63 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -34.54 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' CYS . 25.9 mm-40 -47.34 -56.82 6.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -103.77 -46.26 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.76 34.38 1.55 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -110.41 153.26 25.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 p -122.81 140.28 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -121.19 148.08 44.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -74.9 -40.05 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -106.71 113.41 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -40.79 -25.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' HIS . 9.8 m -62.28 -58.48 7.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.27 -56.9 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.4 tp -45.56 -61.36 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 18.0 t -39.7 -48.54 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -65.71 -48.51 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 38' ' ' ARG . 14.0 t60 -53.06 -54.88 28.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 35' ' ' SER . 7.5 mtt85 -37.03 -33.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' HIS . 64.6 mtp180 -48.84 -49.84 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 t -43.57 -23.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 53.3 m-70 -85.69 88.45 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 p -117.33 174.78 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.65 -104.51 2.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 pm0 -81.8 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' GLU . 26.7 mttt -35.36 128.79 0.55 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.74 1.77 4.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -139.54 134.24 31.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -164.24 146.91 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.4 t -101.65 129.49 47.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.62 -41.25 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.56 -59.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -46.98 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.64 41.03 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -115.51 143.08 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.61 145.19 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 62' ' ' LEU . 6.9 m-85 -133.22 144.21 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -70.76 -62.81 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 13.6 mm100 -85.01 141.44 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -53.49 -50.22 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 88.4 p -42.74 -50.84 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m170 -40.65 -39.1 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 56' ' ' PHE . 20.0 tp -78.61 -41.43 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 60' ' ' SER . 74.8 mt -45.31 -50.46 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.64 -48.5 28.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.471 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 23.0 t60 -47.18 -45.94 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.459 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 8.5 m80 -38.92 -37.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' HIS . 15.5 mmt180 -45.03 -54.65 6.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 69' ' ' HIS . 29.8 m -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.54 ' CE1' HG23 ' A' ' 68' ' ' VAL . 19.8 m-70 -114.79 174.27 6.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -104.68 91.39 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.65 137.25 6.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 p -160.02 178.09 10.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.23 -66.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 175.32 8.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 p -84.61 154.68 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -98.21 -52.54 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.532 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -115.09 118.91 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 p -141.12 122.09 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.48 171.24 21.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -123.89 176.42 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -82.03 -22.15 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.32 -72.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 61.73 42.34 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -111.68 159.62 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -115.98 140.28 49.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' GLN . 40.1 m95 -144.72 179.1 7.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' TRP . 18.5 pt20 34.43 40.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 5.1 pp0? -158.44 129.68 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -43.38 144.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -131.25 153.33 49.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -127.68 137.89 52.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.47 162.82 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -72.55 -50.21 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 28.6 m-85 -115.94 148.04 40.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -150.02 127.17 11.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 7.8 t -76.5 77.88 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.76 -31.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -46.92 -50.19 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.86 -45.97 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.05 31.54 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 12.9 tttp -101.54 163.02 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -131.65 143.49 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 20.4 m-85 -132.44 168.63 17.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -99.18 -38.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -110.73 112.85 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 79.5 p -39.9 -46.5 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 m -44.46 -44.16 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -60.2 -64.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.1 tp -34.2 -39.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.0 m -62.1 -56.57 17.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -58.05 -35.62 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 38' ' ' ARG . 6.8 t60 -58.66 -61.13 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -30.98 -46.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -39.78 -51.28 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' HIS . 12.9 t -42.02 -39.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.445 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 54.7 m-70 -42.24 -40.05 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' HIS . 58.5 p -35.77 -57.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.54 160.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -128.57 -40.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.27 156.3 69.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.8 3.43 2.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 44.2 m-85 -151.69 138.05 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -153.99 132.91 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.7 t -94.35 102.37 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -54.49 -45.43 73.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -38.32 -62.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 p -90.78 -52.73 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' CYS . . . 114.83 30.49 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -108.99 148.08 31.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.16 146.7 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.76 100.75 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -37.33 -47.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 8.7 tt0 -88.15 170.66 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 17.2 ttt180 -88.65 -52.89 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ILE . 82.8 p -49.2 -53.18 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 20.0 m170 -38.24 -35.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 21.5 tp -80.63 -42.31 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' SER . 50.1 mm -46.13 -44.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.03 -52.52 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' VAL . 4.0 t60 -47.48 -44.7 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.519 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 5.7 m80 -39.15 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' HIS . 11.5 mtp180 -86.38 30.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' HIS . 9.8 p -103.33 -30.94 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.418 ' N ' HG12 ' A' ' 68' ' ' VAL . 50.0 m-70 -95.2 76.74 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 71' ' ' GLY . 10.1 t -68.17 -42.89 79.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 70' ' ' THR . . . -142.93 121.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.5 m -78.94 -48.51 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 110.809 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.79 -149.54 9.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 106.3 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -44.96 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 m 50.43 42.44 26.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.477 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 9.0 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.913 0.387 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -143.11 145.62 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -93.33 142.9 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -93.02 -24.47 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.5 -59.63 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.95 -49.67 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.7 40.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -110.64 161.5 15.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 89.4 p -125.01 161.88 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 27' ' ' SER . 27.3 m-85 -145.96 155.02 42.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -78.24 -36.91 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -108.68 144.38 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 97.1 p -73.98 -34.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.19 -46.64 73.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD11 ' HD2' ' A' ' 38' ' ' ARG . 6.5 tp -58.54 -41.61 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 t -55.61 -43.63 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -70.44 -24.17 62.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 40' ' ' THR . 11.0 t60 -71.07 -54.35 11.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -42.29 -28.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -56.38 -44.27 80.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 37' ' ' HIS . 10.2 t -50.67 -17.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.5 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.775 0.24 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -131.68 143.42 50.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -162.8 120.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.2 t -69.5 161.73 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.63 -46.06 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.1 p -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.15 47.11 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.48 153.82 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.13 143.64 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.06 -56.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.632 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 45.3 mm-40 -83.37 160.4 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' CG ' HD11 ' A' ' 63' ' ' ILE . 9.9 tpp180 -71.55 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 77.3 p -41.01 -39.65 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.632 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -48.8 -44.51 39.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 15.8 tp -84.87 -44.61 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CG ' ' A' ' 59' ' ' ARG . 81.8 mt -44.74 -48.83 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.88 -41.09 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' HIS . 14.2 t60 -51.72 -47.22 64.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.7 m80 -36.82 -33.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' HIS . 25.7 mmm180 -43.98 -55.25 4.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 4.6 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.961 0.41 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -171.95 161.38 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.9 t -113.58 76.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.0 p-10 -37.2 -34.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.07 -54.61 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 p -109.11 -48.12 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.15 33.99 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -108.49 149.54 28.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 36.8 t -120.96 173.42 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 27' ' ' SER . 17.5 m-85 -158.97 149.23 19.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 m -71.97 -45.12 62.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.2 141.02 37.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.2 p -57.49 -46.71 83.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -46.18 -55.96 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -44.34 -60.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.76 -45.81 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 t -52.22 -50.25 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -61.7 -43.45 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ARG . 9.5 t60 -49.55 -54.77 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -37.41 -44.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -42.75 -47.91 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -42.46 -43.56 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.806 0.252 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 64.4 m-85 -133.69 144.73 49.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -165.72 147.31 7.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -105.69 156.16 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -100.21 -45.02 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.97 -59.94 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.64 -47.99 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.82 48.21 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 52.5 tttt -122.8 160.63 25.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . . . -113.58 151.89 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -138.7 132.97 31.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.2 mp -70.39 -55.03 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.533 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 3.4 tp-100 -81.57 145.87 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.36 -50.56 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -51.71 -49.66 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 34.6 m170 -42.33 -29.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -87.05 -49.31 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 HD11 ' HD2' ' A' ' 59' ' ' ARG . 58.2 mt -46.05 -45.58 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.57 -53.86 9.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' ARG . 9.4 t60 -45.5 -50.38 12.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 14.1 m-70 -34.36 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' HIS . 16.8 mtt180 -44.14 -53.04 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' ARG . 18.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 84.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -114.4 155.22 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.3 t -102.66 78.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -37.98 -32.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' CYS . 43.8 mm-40 -49.09 -54.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 p -110.05 -47.51 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 32.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -105.02 152.96 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -126.2 139.55 53.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.49 144.6 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -62.13 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -110.97 134.46 52.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 76.3 p -58.06 -55.48 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m -37.88 -45.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.68 -45.47 94.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 42.8 tp -56.14 -42.59 77.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.1 t -50.56 -50.38 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -63.48 -40.31 96.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -53.4 -53.38 52.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -42.34 -37.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -41.26 -48.01 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 p -38.11 -53.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.844 0.268 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -104.33 119.11 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -152.53 134.12 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -81.25 160.46 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.28 -45.2 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -53.35 -59.14 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -87.17 -45.26 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.93 6.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -92.91 165.31 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.12 160.61 21.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -153.27 151.16 29.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.6 mt -92.49 -51.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -91.79 151.56 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.06 -50.08 75.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.7 p -49.42 -48.86 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -30.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' ILE . 39.0 tp -93.02 -51.78 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' LEU . 94.9 mt -37.76 -40.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' HIS . . . -73.51 -64.12 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 68' ' ' VAL . 39.0 t60 -34.72 -42.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 8.9 m80 -34.3 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' HIS . 21.2 ptt180 -36.4 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' HIS . 95.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 67.7 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.963 0.411 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -137.89 129.17 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.52 138.68 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.22 -32.69 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.53 -53.7 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.2 p -110.22 -48.24 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.36 36.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -100.82 163.05 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -128.71 148.04 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -135.31 162.12 33.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -84.78 -43.09 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.68 147.67 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t -67.22 -51.97 46.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.7 t -44.7 -41.52 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.36 -47.67 81.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.63 -44.35 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.7 t -50.79 -46.06 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -65.89 -44.75 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' THR . 10.8 t60 -48.06 -53.27 16.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -39.28 -44.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' THR . 8.1 mmm180 -37.37 -48.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' HIS . 63.4 p -35.95 -47.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.827 0.261 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 82.3 m-85 -120.29 134.85 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -148.07 144.65 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -105.25 -38.76 6.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -63.74 -58.49 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 18.2 p -87.74 -45.81 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 92.73 47.22 3.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -117.43 151.55 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.24 148.52 25.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' HB3' ' CB ' ' A' ' 61' ' ' HIS . 38.2 m-85 -132.38 175.79 8.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.41 -71.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 77.9 mm-40 -89.08 155.95 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -55.33 -46.8 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 63' ' ' ILE . 41.3 m -45.09 -41.51 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -49.24 -43.44 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 65' ' ' HIS . 20.0 tp -80.02 -49.7 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 60' ' ' SER . 76.4 mt -39.76 -61.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.95 -44.53 61.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 62' ' ' LEU . 8.8 t60 -44.59 -47.73 10.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -40.26 -38.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -54.66 -42.89 71.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' HB3' HD22 ' A' ' 34' ' ' LEU . 14.2 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.974 0.416 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -123.22 162.41 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ASP . 12.8 t -110.6 80.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 22.8 t70 -36.58 -36.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.93 -54.61 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.57 -43.23 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.22 34.44 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -108.02 149.09 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 p -117.93 145.58 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' CZ ' ' CG ' ' A' ' 37' ' ' HIS . 17.0 m-85 -126.13 160.8 29.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -82.61 -37.67 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -109.0 122.31 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -51.5 -52.36 47.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -44.46 -46.24 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -61.02 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD11 ' HE ' ' A' ' 38' ' ' ARG . 11.1 tp -38.09 -37.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -56.57 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -58.15 -34.0 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.955 ' O ' HG22 ' A' ' 40' ' ' THR . 9.4 t60 -60.18 -50.64 72.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HE ' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -43.92 -29.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.82 -41.0 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.8 t -51.58 -22.8 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.78 0.242 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.3 m-85 -112.59 140.63 47.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -172.26 149.9 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 23.9 t -101.39 160.78 14.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t0 -100.92 -55.43 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -41.49 -64.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.48 -47.67 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.59 64.27 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 35.9 tttp -136.19 138.67 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.32 155.92 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.671 ' CE1' HD13 ' A' ' 62' ' ' LEU . 7.8 m-85 -144.41 143.85 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.49 -53.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -100.89 137.43 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HG3' HD11 ' A' ' 63' ' ' ILE . 19.8 tpt180 -51.45 -57.81 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 m -34.52 -49.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -45.87 -47.72 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.671 HD13 ' CE1' ' A' ' 56' ' ' PHE . 30.4 tp -75.84 -39.71 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 59' ' ' ARG . 43.9 mm -37.61 -59.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.47 41.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 1.7 t-80 -38.93 -46.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' HIS . 51.4 m-70 -34.34 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' HIS . 23.9 mtp180 -35.84 -51.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 65' ' ' HIS . 31.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 14.6 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.943 0.401 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -142.88 120.6 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 15.6 t -69.58 74.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.3 p-10 -34.59 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' CYS . 47.2 mt-10 -49.04 -52.18 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 p -107.46 -50.09 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.23 26.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -103.19 152.88 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.3 p -120.64 141.03 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.46 154.76 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -79.01 -41.26 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -109.1 127.52 54.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 75.5 p -48.7 -39.04 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.6 m -51.4 -59.59 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -58.71 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 11.1 tp -44.67 -58.4 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 47.1 t -43.88 -53.13 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -61.49 -36.67 81.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 40' ' ' THR . 6.3 t60 -65.03 -58.2 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' HIS . 8.0 mtt85 -34.93 -38.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' HIS . 28.9 mtp180 -52.87 -48.86 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 37' ' ' HIS . 15.3 t -37.3 -33.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' ARG . 80.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.817 0.257 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 39.2 m-85 -124.14 142.2 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.29 108.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.63 144.05 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.92 -40.96 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -66.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.8 -46.99 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.05 33.86 5.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 55' ' ' ALA . 1.6 tmtt? -105.82 150.69 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' A' ' 54' ' ' LYS . . . -112.1 149.75 31.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.038 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -135.62 152.58 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.0 mt -85.64 -56.61 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 2.9 mp0 -78.46 173.87 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.694 ' CD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -83.94 -53.19 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.9 p -55.81 -19.66 12.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 35.1 m170 -63.38 -26.85 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 26.2 tp -98.62 -39.92 8.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' CD ' ' A' ' 59' ' ' ARG . 46.3 mt -49.54 -42.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.79 7.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' HIS . 1.6 t-80 -50.33 -44.19 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.549 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.1 m80 -36.33 -34.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 8.6 ptm180 -40.52 -47.05 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 19.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 54.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.957 0.408 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -157.4 136.45 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -84.63 79.45 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.34 -25.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.59 -58.55 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 p -99.95 -49.08 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.66 34.26 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -107.72 157.4 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.4 p -126.73 150.9 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.52 146.86 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -72.76 -40.08 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.51 134.67 50.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 37.4 p -57.4 -47.14 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -44.52 -62.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -38.64 -58.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.609 HD21 ' NH2' ' A' ' 38' ' ' ARG . 16.7 tp -46.81 -46.16 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 t -45.49 -45.57 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -37.49 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.956 ' O ' HG22 ' A' ' 40' ' ' THR . 47.2 t60 -58.1 -45.98 86.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.609 ' NH2' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -46.72 -28.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -54.38 -42.32 70.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.956 HG22 ' O ' ' A' ' 37' ' ' HIS . 13.5 t -56.5 -23.34 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.782 0.243 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 53.6 m-85 -139.74 138.5 35.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -160.08 144.15 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 34.0 t -95.01 143.84 26.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.47 -44.72 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -47.27 -59.81 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.45 -46.66 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.22 32.5 5.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HD2' ' CE2' ' A' ' 56' ' ' PHE . 15.7 ttmt -111.37 151.62 28.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.7 159.9 15.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 4.1 m-85 -148.13 133.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -61.88 -61.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.01 146.28 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 6.3 ptm180 -58.05 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 t -46.61 -48.57 19.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.16 -33.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 5.9 tp -91.74 -43.3 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.7 mt -48.94 -41.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.31 -38.77 10.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.931 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -46.46 -36.91 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -40.71 -27.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' HIS . 18.2 ptp180 -56.47 -47.08 79.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 65' ' ' HIS . 27.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.946 0.403 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -166.69 133.37 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.2 t -89.22 75.82 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -38.75 -28.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' CYS . 9.3 mp0 -50.89 -48.34 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -50.38 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.21 15.84 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -85.28 171.52 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.605 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 58.5 p -147.17 146.3 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -146.55 126.08 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -57.98 -33.78 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -97.67 128.7 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 96.9 p -64.59 -52.4 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -46.1 -50.2 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.94 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 19' ' ' TYR . 6.0 tp -53.44 -43.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.7 t -52.26 -43.73 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.67 -25.26 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.884 ' O ' HG22 ' A' ' 40' ' ' THR . 7.2 t60 -69.61 -52.65 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -26.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.2 mmm180 -57.37 -47.84 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.884 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.95 -25.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.762 0.234 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 61.5 m-85 -118.5 136.35 53.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -157.66 143.75 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.05 158.86 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -107.96 -26.93 10.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.79 -40.17 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 15.4 p -111.64 -46.27 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 95.07 56.67 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 5.0 ttpm? -125.97 131.01 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.07 136.69 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 82.2 m-85 -123.48 109.94 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -49.76 -50.72 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 31.2 mm-40 -91.49 175.67 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -86.86 -52.87 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -49.67 -48.2 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 1.9 m-70 -44.99 -29.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 tp -87.14 -44.11 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -46.2 -55.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.3 -40.92 94.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 68' ' ' VAL . 27.5 t60 -48.41 -41.36 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -44.4 -26.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -51.53 -48.48 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 65' ' ' HIS . 15.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 84.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 21' ' ' CYS . 42.5 tttm -146.24 161.96 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 7.2 t -115.16 77.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -39.54 -30.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -50.18 -54.09 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 p -110.58 -50.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.77 31.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.538 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -105.61 153.0 22.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 27.0 p -125.37 164.25 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' SER . 21.7 m-85 -149.98 177.32 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -100.22 -41.57 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -103.31 139.02 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.3 p -64.05 -46.9 82.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -51.26 -47.05 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.88 -54.4 46.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' TYR . 5.7 tp -53.31 -42.36 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -51.61 -49.28 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -65.07 -28.41 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 40' ' ' THR . 7.3 t60 -68.64 -40.62 80.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -62.67 -36.31 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -56.69 -41.42 77.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 37' ' ' HIS . 1.9 t -50.33 -19.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.788 0.245 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.8 m-85 -141.01 129.73 22.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -148.24 136.33 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.2 163.62 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -109.55 -40.93 4.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -58.3 -52.9 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.9 p -99.36 -40.25 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.49 35.35 6.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 16.4 tptm -89.74 151.39 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.13 139.99 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CZ ' ' HG2' ' A' ' 54' ' ' LYS . 4.2 m-85 -141.14 156.05 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.33 -53.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 40.7 tp60 -83.02 151.73 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -63.62 -45.37 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -54.98 -42.05 71.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 58' ' ' GLN . 36.4 m170 -49.02 -25.95 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.39 -39.59 9.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.82 -40.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.4 -43.94 23.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.41 ' HA ' HG23 ' A' ' 68' ' ' VAL . 32.0 t60 -48.53 -26.88 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -53.74 -33.62 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -87.66 27.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 65' ' ' HIS . 87.0 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.939 0.399 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -148.94 134.78 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.1 t -84.29 73.07 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.5 m-20 -35.9 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' CYS . 5.3 mp0 -49.82 -51.67 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' O ' ' NE ' ' A' ' 59' ' ' ARG . 11.8 p -110.06 -50.0 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.35 22.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -92.75 167.11 12.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.2 p -142.36 137.55 30.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -123.94 165.05 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -88.86 -35.63 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -113.59 121.82 45.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -49.14 -48.93 44.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -42.36 -52.77 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.55 -50.48 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 19' ' ' TYR . 13.7 tp -50.45 -39.96 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -57.03 -41.67 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -69.77 -33.48 72.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 40' ' ' THR . 16.0 t60 -61.66 -54.91 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -40.6 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' HIS . 53.8 mtp180 -63.91 -45.09 90.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.6 t -47.0 -24.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.763 0.235 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.7 m-85 -134.19 138.56 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -170.88 118.28 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.39 163.79 24.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.16 -41.65 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.18 -49.72 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.69 34.68 4.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -107.85 151.53 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 56' ' ' PHE . . . -100.2 167.76 10.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 55' ' ' ALA . 64.7 m-85 -156.15 135.8 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.07 -45.76 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -101.23 159.78 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 24' ' ' CYS . 47.6 ttt180 -74.45 -56.62 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.495 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 72.8 m -38.95 -48.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -42.98 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 66' ' ' HIS . 8.8 tp -77.47 -34.98 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 50.2 mm -44.62 -60.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.11 95.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.696 ' O ' HG12 ' A' ' 68' ' ' VAL . 6.8 t-80 -52.3 -40.02 61.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.433 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 3.0 m-70 -45.84 -27.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 67' ' ' ARG . 7.7 mtp-105 -89.17 29.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 65' ' ' HIS . 12.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.948 0.404 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -143.96 129.97 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -75.28 145.17 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -96.37 -29.31 14.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.43 -44.5 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.14 -52.94 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 17.9 1.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -72.07 163.49 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -134.6 145.39 48.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -142.87 167.06 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -94.95 -44.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -99.93 151.32 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -73.43 -48.12 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -47.21 -41.91 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -60.82 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.1 tp -44.55 -53.7 6.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 t -45.27 -39.19 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -73.0 -39.2 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' ARG . 8.5 t60 -54.78 -58.79 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -35.45 -43.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' THR . 49.2 mtm180 -39.04 -52.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' HIS . 68.8 p -37.93 -55.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' THR . 65.6 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.769 0.237 . . . . 0.0 112.3 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.9 m-85 -129.09 139.34 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 55' ' ' ALA . 9.4 ttmt -158.79 121.39 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.71 120.57 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -38.18 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -44.41 -50.7 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.8 p -105.26 -47.4 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.38 34.14 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -107.59 147.92 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . . . -108.22 147.58 31.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -130.91 140.46 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.24 -48.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -92.41 173.7 7.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tpp180 -78.4 -54.41 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 p -55.8 -25.7 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -28.46 66.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 14.9 tp -100.94 -43.78 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.0 mt -45.18 -30.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.46 -56.24 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.498 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.5 t60 -43.59 -44.48 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' HIS . 5.6 m80 -34.65 -60.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -40.79 -42.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 65' ' ' HIS . 89.1 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' HD22 ' A' ' 34' ' ' LEU . 28.6 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -143.71 128.13 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.2 151.11 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 -24.5 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.69 -50.8 72.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.18 -48.27 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.25 31.64 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 40.0 tttt -94.59 163.73 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.4 p -129.04 147.1 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 51.7 m-85 -136.21 168.19 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.7 m -89.91 -42.9 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -102.19 146.47 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -70.82 -44.36 66.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -54.57 -48.98 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -55.28 -42.34 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' A' ' 38' ' ' ARG . 9.9 tp -59.27 -43.07 92.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -51.92 -53.9 35.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -59.8 -40.94 90.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -51.4 -46.75 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -44.43 -43.22 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' THR . 58.5 mtp180 -44.93 -48.43 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ARG . 80.4 p -37.26 -35.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.5 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.806 0.253 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.9 m-85 -116.47 149.74 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 49' ' ' CYS . 27.9 tttt -171.06 150.65 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 14.3 t -103.98 166.64 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.48 -64.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -43.41 -61.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 p -82.24 -39.36 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.58 51.06 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -115.29 144.47 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.86 153.99 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 62' ' ' LEU . 22.9 m-85 -139.42 114.99 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.8 mp -54.77 -50.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -102.88 168.27 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.516 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 18.8 ttm180 -76.65 -46.26 26.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -53.94 -31.22 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -30.36 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 56' ' ' PHE . 15.5 tp -91.45 -35.48 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' SER . 70.2 mt -46.11 -45.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.76 -35.27 40.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' VAL . 36.4 t60 -50.64 -35.17 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -55.85 -32.19 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -83.04 19.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 65' ' ' HIS . 51.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 34' ' ' LEU . 3.9 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.932 0.396 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -153.33 166.02 33.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 9.5 t -116.99 74.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 16.9 t70 -37.32 -34.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -46.97 -50.57 18.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.09 -48.49 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.57 33.18 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -104.4 153.07 21.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 p -125.75 149.15 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.1 m-85 -137.0 149.68 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 m -78.29 -38.84 41.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.75 120.07 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.486 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 45.0 t -51.97 -47.94 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.37 -44.58 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.2 -60.66 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 19' ' ' TYR . 19.0 tp -38.14 -36.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.3 m -62.48 -56.09 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 19.8 pttt -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.862 ' O ' HG22 ' A' ' 40' ' ' THR . 20.8 t60 -57.77 -57.85 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.84 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' LYS . 2.1 mmp_? -57.54 -46.11 84.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.0 t -43.81 -26.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 94.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.833 0.264 . . . . 0.0 112.409 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.0 m-85 -121.15 137.13 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 41' ' ' HIS . 23.5 tttp -169.12 129.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.61 146.33 27.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.6 -53.44 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.8 -67.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 p -76.79 -53.1 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.41 38.05 2.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -113.94 158.46 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.21 160.78 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -147.28 132.8 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.571 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.1 mp -73.01 -49.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 14.1 mm-40 -90.41 164.35 14.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.479 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 5.6 t -41.88 -53.3 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 32.2 m170 -36.46 -42.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 7.2 tp -84.16 -33.94 24.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 47.5 mm -48.58 -57.12 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -41.5 82.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.548 ' NE2' HG11 ' A' ' 68' ' ' VAL . 2.4 t-80 -48.98 -41.88 35.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 12.9 m80 -38.97 -31.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -84.45 29.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.548 HG11 ' NE2' ' A' ' 65' ' ' HIS . 7.3 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -150.72 156.54 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 t -109.95 76.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -39.0 -31.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.78 -55.17 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.3 -49.89 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.08 24.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -94.96 168.69 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -141.99 143.89 33.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -129.34 168.97 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.2 m -93.64 -41.5 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -111.11 131.95 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.4 p -50.29 -47.28 55.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 m -45.46 -46.55 13.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -56.9 -56.46 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.9 tp -50.88 -51.14 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -45.77 -43.45 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -68.31 -37.1 80.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ARG . 28.2 t60 -61.57 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -35.95 -36.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -53.94 -48.61 70.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' HIS . 74.1 p -40.81 -33.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.802 0.251 . . . . 0.0 112.302 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.3 m-85 -121.66 138.23 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -170.1 117.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.0 t -73.49 152.44 40.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.2 -41.38 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.29 -49.13 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -98.24 -40.57 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.11 42.68 4.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -117.55 145.51 44.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.85 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 7.2 m-85 -131.12 157.43 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.31 -51.28 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 59.3 mm-40 -95.94 161.8 13.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -69.34 -58.72 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 p -43.54 -37.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -55.32 -39.55 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 tp -89.55 -50.39 6.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.9 mt -37.44 -56.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.29 -45.39 86.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -41.43 -42.21 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -37.99 -53.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' VAL . 30.0 mtp180 -47.13 -48.06 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' ARG . 61.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.931 0.396 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -152.34 133.42 14.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.21 107.96 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.48 41.74 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.61 -42.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.2 -48.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.78 41.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -107.4 167.27 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -142.08 146.08 35.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -136.36 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -81.28 -44.17 18.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -105.28 150.31 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -70.07 -48.7 56.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -44.87 -48.4 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.36 -60.17 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.2 tp -45.81 -54.77 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -43.16 -39.72 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -73.22 -50.02 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.989 ' O ' HG22 ' A' ' 40' ' ' THR . 14.2 t60 -44.18 -57.68 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -36.25 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' HIS . 57.8 mtt180 -50.21 -49.62 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 37' ' ' HIS . 4.0 t -42.34 -27.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.133 0 CA-C-O 120.795 0.248 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 59' ' ' ARG . 32.3 m-85 -115.5 154.35 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.09 147.83 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 36.9 t -102.68 161.96 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 18.9 m-20 -105.16 -47.18 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.09 -60.35 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -83.47 -39.86 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.76 41.8 7.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -116.88 152.63 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.51 150.55 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.46 148.34 47.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.5 mt -74.49 -58.72 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.533 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 55.4 mm-40 -90.2 139.54 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 4.9 ptm180 -55.61 -46.7 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.736 ' HA ' HD12 ' A' ' 63' ' ' ILE . 40.0 t -47.21 -49.3 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -43.58 -37.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -85.22 -39.65 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 60' ' ' SER . 75.9 mt -44.78 -57.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.54 83.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 29.5 t60 -50.72 -35.34 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -51.12 -32.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -84.32 27.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 65' ' ' HIS . 97.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 4.2 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.989 0.423 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -162.96 121.64 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.59 84.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.92 -28.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.21 -50.31 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.69 -44.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 22.15 2.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -92.3 165.06 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -136.53 161.35 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -148.78 147.43 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.4 m -78.31 -33.46 49.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.44 116.9 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 77.1 p -45.32 -48.15 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -44.38 -57.74 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.99 -63.91 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD21 HH21 ' A' ' 38' ' ' ARG . 2.3 tp -39.1 -61.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' LEU . 37.2 m -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -65.59 -39.83 92.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 1.01 ' O ' HG22 ' A' ' 40' ' ' THR . 21.1 t60 -64.18 -47.53 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 34' ' ' LEU . 11.9 mtt180 -42.93 -29.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' HIS . 84.5 mtt180 -57.28 -42.7 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.1 t -44.14 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 66.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.809 0.254 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 45.6 m-85 -139.31 121.37 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -139.94 115.55 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.5 t -79.8 118.4 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.66 -39.94 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -42.42 -54.75 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -101.77 -45.11 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.14 31.62 3.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tttp -101.75 149.16 24.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.82 142.5 46.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.0 m-85 -139.83 149.43 43.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.71 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.525 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 11.2 tp60 -64.9 174.07 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 11.2 tpp180 -86.75 -57.94 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.3 t -51.66 -47.17 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.525 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 1.5 m-70 -34.48 -34.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' SER . 23.0 tp -93.86 -38.98 10.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' SER . 40.6 mm -49.19 -36.57 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.67 -44.24 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.3 t60 -49.3 -42.6 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ARG . 11.0 m80 -38.15 -35.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 22.5 ptt180 -37.45 -46.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 33.5 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 25.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.981 0.42 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -153.4 146.67 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.6 t -102.46 77.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -39.06 -30.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 mm-40 -49.37 -46.83 47.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -119.83 -46.52 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.25 11.25 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.77 164.59 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.1 p -143.91 133.48 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CZ ' ' HG2' ' A' ' 26' ' ' LYS . 5.7 m-85 -131.72 144.32 50.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m -67.88 -45.08 75.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -99.66 145.47 27.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 87.6 p -68.81 -53.33 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -40.56 -51.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -52.7 60.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HD2' ' A' ' 38' ' ' ARG . 25.5 tp -49.98 -39.8 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -39.86 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.5 t60 -72.57 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -36.7 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' HIS . 82.2 mtp180 -63.55 -47.57 81.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' HIS . 3.6 t -43.72 -28.94 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 59.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.78 0.241 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 57.6 m-85 -139.24 138.2 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -154.12 150.1 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.0 t -110.15 162.28 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.36 -35.36 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -60.93 -48.55 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 p -101.37 -38.97 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.21 43.61 5.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 39.6 tttp -115.93 149.89 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.35 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -148.67 138.1 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -81.9 -55.5 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -88.6 177.81 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -81.52 -58.99 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -40.72 -31.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -59.45 -45.49 91.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 6.9 tp -88.13 -40.43 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -41.01 -66.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.27 97.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.849 ' O ' HG12 ' A' ' 68' ' ' VAL . 86.5 t60 -44.94 -48.29 11.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.819 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -38.82 -37.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -61.08 -52.34 65.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 65' ' ' HIS . 3.8 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -136.37 139.59 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 8.5 t -92.03 74.13 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.4 p-10 -36.39 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' CYS . 23.7 mt-10 -48.12 -53.96 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HE1' ' A' ' 37' ' ' HIS . 6.2 p -109.32 -48.47 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.26 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HE2' ' CE1' ' A' ' 37' ' ' HIS . 18.3 mtpt -99.18 172.16 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.4 p -147.65 147.81 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -141.07 161.24 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 m -81.17 -45.39 16.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -99.53 141.29 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.5 p -67.83 -46.99 70.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -44.94 -46.94 11.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -58.41 -57.71 11.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -49.21 -47.44 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -50.03 -49.47 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -63.27 -42.46 99.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.869 ' O ' HG22 ' A' ' 40' ' ' THR . 1.9 t-80 -56.2 -54.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . 8.1 mtp180 -39.11 -28.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' HIS . 51.6 mtp85 -53.23 -46.67 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.7 t -44.4 -28.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 40.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.822 0.259 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.2 m-85 -123.71 132.49 53.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -162.18 140.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -89.45 158.6 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -100.12 -51.67 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -44.24 -63.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -81.44 -39.93 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.65 49.66 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -121.76 149.73 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.45 151.17 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -138.18 162.93 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.22 -57.24 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.475 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 15.4 mm100 -91.03 139.12 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 14.9 ptt-85 -53.05 -47.07 68.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -42.19 -41.89 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -53.52 -41.59 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.25 -46.32 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.7 mt -43.66 -56.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.62 58.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 68' ' ' VAL . 3.9 t60 -51.4 -39.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -45.02 -23.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -95.61 27.23 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 65' ' ' HIS . 13.0 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -141.58 142.4 33.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 14.7 t -93.11 77.63 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -34.54 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' CYS . 25.9 mm-40 -47.34 -56.82 6.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -103.77 -46.26 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.76 34.38 1.55 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -110.41 153.26 25.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 p -122.81 140.28 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -121.19 148.08 44.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -74.9 -40.05 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -106.71 113.41 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -40.79 -25.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' HIS . 9.8 m -62.28 -58.48 7.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.27 -56.9 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.4 tp -45.56 -61.36 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 18.0 t -39.7 -48.54 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -65.71 -48.51 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.826 ' O ' HG22 ' A' ' 40' ' ' THR . 14.0 t60 -53.06 -54.88 28.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 35' ' ' SER . 7.5 mtt85 -37.03 -33.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' HIS . 64.6 mtp180 -48.84 -49.84 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.57 -23.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 53.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.804 0.252 . . . . 0.0 112.354 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 43.3 m-85 -139.54 134.24 31.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -164.24 146.91 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.4 t -101.65 129.49 47.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.62 -41.25 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.56 -59.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -46.98 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.64 41.03 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -115.51 143.08 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.61 145.19 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.22 144.21 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -70.76 -62.81 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 13.6 mm100 -85.01 141.44 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.556 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -53.49 -50.22 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 63' ' ' ILE . 88.4 p -42.74 -50.84 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -40.65 -39.1 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -78.61 -41.43 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 60' ' ' SER . 74.8 mt -45.31 -50.46 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.64 -48.5 28.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 1.003 ' O ' HG22 ' A' ' 68' ' ' VAL . 23.0 t60 -47.18 -45.94 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.462 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 8.5 m80 -38.92 -37.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -45.03 -54.65 6.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 65' ' ' HIS . 29.8 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 28.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -150.02 127.17 11.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 7.8 t -76.5 77.88 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.76 -31.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -46.92 -50.19 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.86 -45.97 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.05 31.54 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 12.9 tttp -101.54 163.02 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -131.65 143.49 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 20.4 m-85 -132.44 168.63 17.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -99.18 -38.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -110.73 112.85 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 79.5 p -39.9 -46.5 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 m -44.46 -44.16 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -60.2 -64.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.1 tp -34.2 -39.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.0 m -62.1 -56.57 17.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -58.05 -35.62 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 40' ' ' THR . 6.8 t60 -58.66 -61.13 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -30.98 -46.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -39.78 -51.28 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' HIS . 12.9 t -42.02 -39.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 54.7 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.26 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 44.2 m-85 -151.69 138.05 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -153.99 132.91 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.7 t -94.35 102.37 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -54.49 -45.43 73.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -38.32 -62.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 65' ' ' HIS . 5.2 p -90.78 -52.73 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' CYS . . . 114.83 30.49 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -108.99 148.08 31.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.16 146.7 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.76 100.75 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -37.33 -47.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 8.7 tt0 -88.15 170.66 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 17.2 ttt180 -88.65 -52.89 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ILE . 82.8 p -49.2 -53.18 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 20.0 m170 -38.24 -35.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 66' ' ' HIS . 21.5 tp -80.63 -42.31 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' SER . 50.1 mm -46.13 -44.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.03 -52.52 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' VAL . 4.0 t60 -47.48 -44.7 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 20.0 m-70 -39.15 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' HIS . 11.5 mtp180 -86.38 30.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' HIS . 9.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -139.28 146.16 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -164.46 171.56 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.53 140.86 3.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -52.85 122.04 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -127.17 -54.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.25 -153.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 43.75 41.44 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -94.44 41.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -97.67 155.55 16.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -103.7 -41.84 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -136.54 120.87 18.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.4 123.31 45.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -126.39 72.75 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -84.44 150.09 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -46.64 163.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -45.55 142.78 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -50.92 -45.36 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 9.0 m-85 -127.75 93.9 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -143.11 145.62 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -93.33 142.9 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -93.02 -24.47 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.5 -59.63 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.95 -49.67 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.7 40.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -110.64 161.5 15.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 89.4 p -125.01 161.88 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 27' ' ' SER . 27.3 m-85 -145.96 155.02 42.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -78.24 -36.91 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -108.68 144.38 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 97.1 p -73.98 -34.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.19 -46.64 73.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD11 ' HD2' ' A' ' 38' ' ' ARG . 6.5 tp -58.54 -41.61 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 t -55.61 -43.63 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -70.44 -24.17 62.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 40' ' ' THR . 11.0 t60 -71.07 -54.35 11.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -42.29 -28.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -56.38 -44.27 80.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 37' ' ' HIS . 10.2 t -50.67 -17.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -107.43 -34.93 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -172.76 143.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.94 70.64 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.6 pt-20 -131.17 -175.02 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HG13 ' A' ' 57' ' ' ILE . 2.7 mppt? -34.64 136.85 0.37 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.5 Cg_endo -69.71 -0.27 6.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -131.68 143.42 50.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -162.8 120.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.2 t -69.5 161.73 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.63 -46.06 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' HIS . 69.9 mm-40 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.1 p -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.15 47.11 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.48 153.82 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.13 143.64 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.438 ' C ' ' HG2' ' A' ' 45' ' ' LYS . 13.1 m-85 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.465 HG13 ' CG ' ' A' ' 45' ' ' LYS . 5.3 mp -88.06 -56.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.632 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 45.3 mm-40 -83.37 160.4 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' CG ' HD11 ' A' ' 63' ' ' ILE . 9.9 tpp180 -71.55 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 77.3 p -41.01 -39.65 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.632 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -48.8 -44.51 39.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 15.8 tp -84.87 -44.61 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CG ' ' A' ' 59' ' ' ARG . 81.8 mt -44.74 -48.83 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.88 -41.09 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' HIS . 14.2 t60 -51.72 -47.22 64.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.7 m80 -36.82 -33.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' HIS . 25.7 mmm180 -43.98 -55.25 4.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' CG ' ' A' ' 69' ' ' HIS . 4.6 m -37.68 -34.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 51' ' ' GLU . 51.8 m-70 -101.66 133.86 45.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -58.4 138.81 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -122.81 104.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -158.35 127.28 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.16 49.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 130.77 19.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -100.92 161.14 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -152.36 146.84 25.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.51 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -130.81 -50.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 m 37.5 41.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.45 46.79 1.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -38.81 106.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m -128.54 161.91 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.86 110.67 3.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 7.4 tmm_? -80.65 131.7 35.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -131.61 139.88 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -141.98 143.82 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 6.9 p-90 -68.91 154.6 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 6.0 tm0? 51.8 42.32 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -126.09 93.14 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -41.31 146.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -65.31 -15.95 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.4 ptp180 36.01 50.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -100.48 154.94 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HB3' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -51.69 -60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 18' ' ' ARG . 18.6 m-85 -124.3 163.5 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -171.95 161.38 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.9 t -113.58 76.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.0 p-10 -37.2 -34.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.07 -54.61 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 p -109.11 -48.12 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.15 33.99 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -108.49 149.54 28.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 36.8 t -120.96 173.42 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 27' ' ' SER . 17.5 m-85 -158.97 149.23 19.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 m -71.97 -45.12 62.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.2 141.02 37.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.2 p -57.49 -46.71 83.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -46.18 -55.96 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -44.34 -60.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.76 -45.81 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 t -52.22 -50.25 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -61.7 -43.45 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ARG . 9.5 t60 -49.55 -54.77 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -37.41 -44.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -42.75 -47.91 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -42.46 -43.56 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -52.62 -59.79 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.5 p -53.69 -47.8 70.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.56 -103.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 10.9 tp10 -48.77 165.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' H ' ' CD ' ' A' ' 45' ' ' LYS . 11.2 mptt -34.42 133.18 0.41 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 54.0 Cg_endo -69.73 0.04 6.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 64.4 m-85 -133.69 144.73 49.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -165.72 147.31 7.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -105.69 156.16 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -100.21 -45.02 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.97 -59.94 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.64 -47.99 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.82 48.21 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 52.5 tttt -122.8 160.63 25.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . . . -113.58 151.89 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -138.7 132.97 31.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.2 mp -70.39 -55.03 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.533 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 3.4 tp-100 -81.57 145.87 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.36 -50.56 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -51.71 -49.66 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 34.6 m170 -42.33 -29.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -87.05 -49.31 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 HD11 ' HD2' ' A' ' 59' ' ' ARG . 58.2 mt -46.05 -45.58 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.57 -53.86 9.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' ARG . 9.4 t60 -45.5 -50.38 12.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 14.1 m-70 -34.36 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' HIS . 16.8 mtt180 -44.14 -53.04 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG23 ' CG ' ' A' ' 69' ' ' HIS . 18.5 m -36.85 -37.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.532 ' CG ' HG23 ' A' ' 68' ' ' VAL . 31.1 m-70 -100.38 170.26 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -92.02 -31.1 15.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.82 130.73 1.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -122.5 171.66 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.54 -170.2 16.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.06 4.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -69.68 -43.7 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 m -85.85 141.85 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -92.96 115.34 28.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -124.83 117.2 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.96 68.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -48.9 -62.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 68.63 42.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.38 115.67 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -92.4 41.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -133.32 126.46 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.7 pm0 -75.81 132.47 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -92.09 133.12 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.71 40.91 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -75.05 -40.13 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -48.24 -45.48 34.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.15 134.33 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -121.32 136.07 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ARG . 29.2 ttt180 -85.78 171.47 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ARG . 3.8 tpm_? -34.45 -59.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 84.6 m-85 -127.76 99.85 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -114.4 155.22 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.3 t -102.66 78.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -37.98 -32.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' CYS . 43.8 mm-40 -49.09 -54.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 p -110.05 -47.51 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 32.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -105.02 152.96 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -126.2 139.55 53.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.49 144.6 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -62.13 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -110.97 134.46 52.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 76.3 p -58.06 -55.48 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m -37.88 -45.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.68 -45.47 94.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 42.8 tp -56.14 -42.59 77.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.1 t -50.56 -50.38 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -63.48 -40.31 96.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -53.4 -53.38 52.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -42.34 -37.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -41.26 -48.01 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 p -38.11 -53.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -66.61 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -39.11 97.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.12 -40.98 1.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 45' ' ' LYS . 57.4 mt-10 -118.77 -177.72 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' GLU . 27.4 mtmt -32.56 95.93 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.73 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -104.33 119.11 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -152.53 134.12 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -81.25 160.46 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.28 -45.2 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -53.35 -59.14 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -87.17 -45.26 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.93 6.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -92.91 165.31 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.12 160.61 21.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -153.27 151.16 29.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.6 mt -92.49 -51.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -91.79 151.56 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.06 -50.08 75.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.7 p -49.42 -48.86 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -30.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' ILE . 39.0 tp -93.02 -51.78 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' LEU . 94.9 mt -37.76 -40.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' HIS . . . -73.51 -64.12 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 68' ' ' VAL . 39.0 t60 -34.72 -42.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 8.9 m80 -34.3 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' HIS . 21.2 ptt180 -36.4 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' HIS . 95.5 t -42.12 -52.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.38 139.01 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.7 t -101.91 39.54 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.69 89.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.0 p -76.8 -52.09 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.395 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -47.99 -64.21 3.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.62 23.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.5 p -78.14 133.92 37.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.4 p -94.69 163.53 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.51 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -154.49 160.1 41.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -161.44 173.79 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.27 -177.32 40.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -169.98 139.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 m -74.55 -61.64 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.79 -164.61 16.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -115.47 158.38 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 p -104.79 129.87 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.05 -56.78 8.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -59.52 141.87 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' GLN . 7.7 pt20 -131.17 39.1 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 14.1 pt20 36.82 45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -52.46 -42.19 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 16' ' ' ARG . 44.1 tt0 -59.44 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 15' ' ' GLU . 8.2 mmm180 -148.26 124.24 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 1.3 mpt_? -135.39 174.65 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 26.2 tpt85 -45.56 -58.51 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 67.7 m-85 -106.93 115.28 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -137.89 129.17 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.52 138.68 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.22 -32.69 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.53 -53.7 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.2 p -110.22 -48.24 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.36 36.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -100.82 163.05 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -128.71 148.04 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -135.31 162.12 33.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -84.78 -43.09 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.68 147.67 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t -67.22 -51.97 46.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.7 t -44.7 -41.52 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.36 -47.67 81.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.63 -44.35 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.7 t -50.79 -46.06 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -65.89 -44.75 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' THR . 10.8 t60 -48.06 -53.27 16.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -39.28 -44.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' THR . 8.1 mmm180 -37.37 -48.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' HIS . 63.4 p -35.95 -47.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.45 90.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 39' ' ' ARG . 38.5 p -111.82 -55.27 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.18 -99.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.425 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -60.5 178.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' GLU . 17.8 mtmt 35.06 54.98 2.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.73 1.13 4.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 82.3 m-85 -120.29 134.85 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -148.07 144.65 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -105.25 -38.76 6.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -63.74 -58.49 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 18.2 p -87.74 -45.81 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 92.73 47.22 3.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -117.43 151.55 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 45' ' ' LYS . . . -102.24 148.52 25.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' HB3' ' CB ' ' A' ' 61' ' ' HIS . 38.2 m-85 -132.38 175.79 8.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.41 -71.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.451 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 77.9 mm-40 -89.08 155.95 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -55.33 -46.8 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 63' ' ' ILE . 41.3 m -45.09 -41.51 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -49.24 -43.44 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 65' ' ' HIS . 20.0 tp -80.02 -49.7 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 60' ' ' SER . 76.4 mt -39.76 -61.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.95 -44.53 61.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 62' ' ' LEU . 8.8 t60 -44.59 -47.73 10.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -40.26 -38.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -54.66 -42.89 71.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.427 HG13 ' ND1' ' A' ' 69' ' ' HIS . 2.2 p -39.26 -31.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.427 ' ND1' HG13 ' A' ' 68' ' ' VAL . 35.9 m-70 -101.71 -70.44 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -128.36 -61.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.45 -100.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -118.76 85.11 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 74' ' ' PRO . . . 55.43 -147.97 26.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 73' ' ' GLY . 53.8 Cg_endo -69.84 86.65 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -120.11 146.69 45.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 p -68.72 125.12 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.454 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -146.89 162.92 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -161.01 165.16 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 146.27 7.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -157.71 142.26 16.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.85 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -154.81 130.67 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.98 55.62 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -150.41 155.18 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -65.7 132.41 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.02 151.7 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -51.34 153.39 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -134.49 -59.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -134.8 130.79 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -81.96 -43.8 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -161.16 136.4 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.57 149.06 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ARG . 16.9 mmt180 -148.24 147.15 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.7 ttm180 -34.54 -59.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' HB3' HD22 ' A' ' 34' ' ' LEU . 14.2 m-85 -134.48 124.78 26.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -123.22 162.41 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ASP . 12.8 t -110.6 80.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 22.8 t70 -36.58 -36.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.93 -54.61 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.57 -43.23 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.22 34.44 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -108.02 149.09 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 p -117.93 145.58 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' CZ ' ' CG ' ' A' ' 37' ' ' HIS . 17.0 m-85 -126.13 160.8 29.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -82.61 -37.67 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -109.0 122.31 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -51.5 -52.36 47.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -44.46 -46.24 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -61.02 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD11 ' HE ' ' A' ' 38' ' ' ARG . 11.1 tp -38.09 -37.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -56.57 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -58.15 -34.0 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.955 ' O ' HG22 ' A' ' 40' ' ' THR . 9.4 t60 -60.18 -50.64 72.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HE ' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -43.92 -29.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.82 -41.0 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.8 t -51.58 -22.8 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -80.3 85.18 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -117.18 139.5 50.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.95 178.44 15.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.48 36.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HE2' ' N ' ' A' ' 56' ' ' PHE . 36.8 mtpt -123.27 76.87 52.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.77 -3.53 12.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.3 m-85 -112.59 140.63 47.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -172.26 149.9 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 23.9 t -101.39 160.78 14.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t0 -100.92 -55.43 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 74.3 mm-40 -41.49 -64.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.48 -47.67 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.59 64.27 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 35.9 tttp -136.19 138.67 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.32 155.92 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.671 ' CE1' HD13 ' A' ' 62' ' ' LEU . 7.8 m-85 -144.41 143.85 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.49 -53.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -100.89 137.43 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HG3' HD11 ' A' ' 63' ' ' ILE . 19.8 tpt180 -51.45 -57.81 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 m -34.52 -49.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -45.87 -47.72 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.671 HD13 ' CE1' ' A' ' 56' ' ' PHE . 30.4 tp -75.84 -39.71 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 59' ' ' ARG . 43.9 mm -37.61 -59.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.47 41.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.2 t60 -38.93 -46.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' HIS . 51.4 m-70 -34.34 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' HIS . 23.9 mtp180 -35.84 -51.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG23 ' N ' ' A' ' 69' ' ' HIS . 31.9 m -35.4 -48.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.575 ' N ' HG23 ' A' ' 68' ' ' VAL . 44.6 m-70 -92.21 143.38 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -68.79 -28.54 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.01 78.36 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.1 m -151.44 151.98 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.03 -98.34 2.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.33 66.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t -61.64 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 m 46.22 44.3 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.486 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -138.85 175.32 9.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 m -73.18 164.74 26.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.32 -151.1 5.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -97.74 135.27 39.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -83.48 42.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.03 -156.21 33.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.435 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -153.39 121.89 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -133.74 168.82 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.22 95.91 9.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -169.12 165.24 11.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER 53.9 37.25 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -81.07 117.78 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -91.51 91.22 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.34 156.01 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -122.6 121.39 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -122.46 160.27 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -39.67 -54.12 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 14.6 m-85 -133.05 137.19 46.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -142.88 120.6 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 15.6 t -69.58 74.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.3 p-10 -34.59 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' CYS . 47.2 mt-10 -49.04 -52.18 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 p -107.46 -50.09 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.23 26.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -103.19 152.88 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.3 p -120.64 141.03 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.46 154.76 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -79.01 -41.26 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -109.1 127.52 54.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 75.5 p -48.7 -39.04 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.6 m -51.4 -59.59 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -58.71 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 11.1 tp -44.67 -58.4 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 47.1 t -43.88 -53.13 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -61.49 -36.67 81.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 40' ' ' THR . 6.3 t60 -65.03 -58.2 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' HIS . 8.0 mtt85 -34.93 -38.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' HIS . 28.9 mtp180 -52.87 -48.86 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 37' ' ' HIS . 15.3 t -37.3 -33.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' THR . 80.3 m-70 -62.28 -55.45 28.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' HIS . 0.8 OUTLIER 37.36 38.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.2 162.23 28.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -99.95 38.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 53.9 mttt -101.12 106.31 44.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.3 Cg_endo -69.78 0.44 5.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 39.2 m-85 -124.14 142.2 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.29 108.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.63 144.05 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.92 -40.96 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -49.49 -66.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.8 -46.99 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.05 33.86 5.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 55' ' ' ALA . 1.6 tmtt? -105.82 150.69 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' A' ' 54' ' ' LYS . . . -112.1 149.75 31.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.038 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -135.62 152.58 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.0 mt -85.64 -56.61 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 2.9 mp0 -78.46 173.87 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.694 ' CD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -83.94 -53.19 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.9 p -55.81 -19.66 12.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 35.1 m170 -63.38 -26.85 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 26.2 tp -98.62 -39.92 8.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' CD ' ' A' ' 59' ' ' ARG . 46.3 mt -49.54 -42.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.79 7.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.6 t60 -50.33 -44.19 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.549 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.1 m80 -36.33 -34.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 8.6 ptm180 -40.52 -47.05 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG23 ' CG ' ' A' ' 69' ' ' HIS . 19.0 m -41.63 -41.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 51' ' ' GLU . 51.5 m-70 -98.01 173.47 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 p -132.2 84.14 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.58 -157.73 15.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -173.93 161.05 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.32 144.79 3.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -14.87 36.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 p -52.24 142.45 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -125.3 112.56 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.489 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -158.03 156.46 31.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -144.34 136.99 26.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 72.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -66.76 -57.37 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -44.27 143.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 119.73 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 6.1 tpm_? -130.66 141.25 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -130.89 111.88 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -64.9 119.12 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -63.33 145.9 54.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.36 40.95 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -65.16 134.6 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -87.36 89.95 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -50.7 119.86 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -63.61 -7.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 14.8 ptt180 -111.57 141.84 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -73.96 -59.52 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 54.1 m-85 -124.02 153.03 41.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 17' ' ' ARG . 39.8 tttp -157.4 136.45 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -84.63 79.45 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.34 -25.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.59 -58.55 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 p -99.95 -49.08 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.66 34.26 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -107.72 157.4 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.4 p -126.73 150.9 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.52 146.86 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -72.76 -40.08 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.51 134.67 50.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 37.4 p -57.4 -47.14 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -44.52 -62.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -38.64 -58.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.609 HD21 ' NH2' ' A' ' 38' ' ' ARG . 16.7 tp -46.81 -46.16 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 t -45.49 -45.57 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -37.49 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.956 ' O ' HG22 ' A' ' 40' ' ' THR . 47.2 t60 -58.1 -45.98 86.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.609 ' NH2' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -46.72 -28.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -54.38 -42.32 70.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.956 HG22 ' O ' ' A' ' 37' ' ' HIS . 13.5 t -56.5 -23.34 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -95.98 99.93 11.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 p -114.35 163.76 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.99 145.78 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.7 98.86 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -107.46 141.45 23.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.73 1.97 3.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 53.6 m-85 -139.74 138.5 35.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -160.08 144.15 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 34.0 t -95.01 143.84 26.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.47 -44.72 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -47.27 -59.81 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.45 -46.66 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.22 32.5 5.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HD2' ' CE2' ' A' ' 56' ' ' PHE . 15.7 ttmt -111.37 151.62 28.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.7 159.9 15.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 4.1 m-85 -148.13 133.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -61.88 -61.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -87.01 146.28 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 6.3 ptm180 -58.05 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 t -46.61 -48.57 19.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.16 -33.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 5.9 tp -91.74 -43.3 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.7 mt -48.94 -41.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.31 -38.77 10.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.931 ' O ' HG22 ' A' ' 68' ' ' VAL . 1.8 t60 -46.46 -36.91 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -40.71 -27.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' HIS . 18.2 ptp180 -56.47 -47.08 79.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 65' ' ' HIS . 27.4 m -43.44 -30.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -89.71 -53.34 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -104.73 103.81 13.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.58 -51.66 0.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' GLY . 34.2 t -84.49 162.56 19.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -36.0 114.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 73' ' ' GLY . 53.8 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -94.21 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.8 m -65.62 -53.63 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.468 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -148.57 170.85 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -168.99 142.36 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.75 -176.34 20.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -142.64 148.65 37.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -152.24 154.05 34.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.97 -155.18 7.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -116.24 119.0 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -72.36 114.59 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -98.52 136.4 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -125.01 -43.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' TRP . 5.0 pm0 -35.95 142.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.9 80.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -54.85 106.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -52.36 141.22 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -144.08 142.85 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.43 -175.65 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -61.97 -50.65 71.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 2.9 m-85 -92.25 159.94 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -166.69 133.37 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.2 t -89.22 75.82 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -38.75 -28.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' CYS . 9.3 mp0 -50.89 -48.34 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -50.38 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.21 15.84 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -85.28 171.52 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.605 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 58.5 p -147.17 146.3 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -146.55 126.08 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -57.98 -33.78 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -97.67 128.7 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 96.9 p -64.59 -52.4 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -46.1 -50.2 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.94 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 19' ' ' TYR . 6.0 tp -53.44 -43.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.7 t -52.26 -43.73 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.67 -25.26 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.884 ' O ' HG22 ' A' ' 40' ' ' THR . 7.2 t60 -69.61 -52.65 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -26.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.2 mmm180 -57.37 -47.84 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.884 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.95 -25.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -69.84 89.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 p -135.62 109.87 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.0 -139.9 15.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -110.41 15.91 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 2.6 mppt? -116.38 73.0 5.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.701 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 61.5 m-85 -118.5 136.35 53.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -157.66 143.75 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.05 158.86 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -107.96 -26.93 10.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.79 -40.17 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 15.4 p -111.64 -46.27 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 95.07 56.67 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 5.0 ttpm? -125.97 131.01 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 45' ' ' LYS . . . -84.07 136.69 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 82.2 m-85 -123.48 109.94 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -49.76 -50.72 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 31.2 mm-40 -91.49 175.67 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -86.86 -52.87 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -49.67 -48.2 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 1.9 m-70 -44.99 -29.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 tp -87.14 -44.11 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -46.2 -55.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.3 -40.92 94.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 68' ' ' VAL . 27.5 t60 -48.41 -41.36 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -44.4 -26.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -51.53 -48.48 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 69' ' ' HIS . 15.4 m -50.16 -21.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' HG23 ' A' ' 68' ' ' VAL . 23.5 m-70 -120.18 107.18 12.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 p -58.49 164.44 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.19 149.8 17.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -130.97 112.77 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.4 -65.69 2.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.4 p -102.75 137.5 40.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.2 m -153.4 152.46 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.458 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -163.88 115.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 131.32 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.82 -166.45 34.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -144.54 138.41 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -99.24 135.23 40.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.39 134.39 6.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -54.85 155.85 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -121.97 160.7 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -149.84 139.51 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -136.19 174.96 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -69.98 127.81 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -98.34 161.49 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -49.63 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.39 144.43 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -121.68 110.49 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -149.11 158.15 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -69.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 84.3 m-85 -121.7 141.94 50.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 21' ' ' CYS . 42.5 tttm -146.24 161.96 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 7.2 t -115.16 77.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -39.54 -30.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -50.18 -54.09 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 p -110.58 -50.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.77 31.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.538 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -105.61 153.0 22.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 27.0 p -125.37 164.25 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' SER . 21.7 m-85 -149.98 177.32 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -100.22 -41.57 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -103.31 139.02 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.3 p -64.05 -46.9 82.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -51.26 -47.05 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.88 -54.4 46.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' TYR . 5.7 tp -53.31 -42.36 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -51.61 -49.28 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -65.07 -28.41 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 40' ' ' THR . 7.3 t60 -68.64 -40.62 80.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -62.67 -36.31 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' HG23 ' A' ' 42' ' ' THR . 50.0 mtm180 -56.69 -41.42 77.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 37' ' ' HIS . 1.9 t -50.33 -19.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -72.32 -34.29 67.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 39' ' ' ARG . 66.3 p -42.55 137.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.39 143.52 4.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -89.16 101.7 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 142.05 23.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo -69.81 -3.28 11.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.8 m-85 -141.01 129.73 22.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -148.24 136.33 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.2 163.62 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -109.55 -40.93 4.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 58.2 mt-10 -58.3 -52.9 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 19.9 p -99.36 -40.25 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.49 35.35 6.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 16.4 tptm -89.74 151.39 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.13 139.99 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CZ ' ' HG2' ' A' ' 54' ' ' LYS . 4.2 m-85 -141.14 156.05 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.33 -53.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 40.7 tp60 -83.02 151.73 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -63.62 -45.37 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -54.98 -42.05 71.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 58' ' ' GLN . 36.4 m170 -49.02 -25.95 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.39 -39.59 9.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.82 -40.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.4 -43.94 23.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.41 ' HA ' HG23 ' A' ' 68' ' ' VAL . 32.0 t60 -48.53 -26.88 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -53.74 -33.62 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -87.66 27.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 65' ' ' HIS . 87.0 t -104.53 -55.45 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 52' ' ' CYS . 86.9 m-70 -52.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 70' ' ' THR . 18.4 m 66.88 33.42 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.04 -84.17 0.37 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 p -173.41 155.31 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.18 74.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 118.76 5.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t -82.45 -54.75 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -156.73 150.1 24.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.466 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 66.0 42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -48.55 153.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.28 177.59 14.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -154.46 155.93 35.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -110.24 166.8 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 72.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -65.38 159.65 23.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -130.41 149.46 52.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -83.96 148.12 27.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -153.88 173.73 15.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -54.74 -48.78 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 40.32 45.4 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -107.02 -52.05 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -55.9 148.93 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -144.79 140.0 28.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -110.14 176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -123.88 -54.78 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 7.9 m-85 -95.0 150.51 20.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -148.94 134.78 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.1 t -84.29 73.07 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.5 m-20 -35.9 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' CYS . 5.3 mp0 -49.82 -51.67 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' O ' ' NE ' ' A' ' 59' ' ' ARG . 11.8 p -110.06 -50.0 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.35 22.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -92.75 167.11 12.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.2 p -142.36 137.55 30.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -123.94 165.05 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -88.86 -35.63 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -113.59 121.82 45.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -49.14 -48.93 44.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -42.36 -52.77 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.55 -50.48 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 19' ' ' TYR . 13.7 tp -50.45 -39.96 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -57.03 -41.67 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -69.77 -33.48 72.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 40' ' ' THR . 16.0 t60 -61.66 -54.91 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -40.6 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' HIS . 53.8 mtp180 -63.91 -45.09 90.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.6 t -47.0 -24.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 46' ' ' PRO . 73.1 m-70 -75.51 -58.53 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -62.34 84.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.79 -101.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -177.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.99 144.37 1.09 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.79 -5.15 15.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.7 m-85 -134.19 138.56 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -170.88 118.28 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.39 163.79 24.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.16 -41.65 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.18 -49.72 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.69 34.68 4.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -107.85 151.53 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 56' ' ' PHE . . . -100.2 167.76 10.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 55' ' ' ALA . 64.7 m-85 -156.15 135.8 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.07 -45.76 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -101.23 159.78 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 24' ' ' CYS . 47.6 ttt180 -74.45 -56.62 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.495 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 72.8 m -38.95 -48.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.07 -42.98 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 66' ' ' HIS . 8.8 tp -77.47 -34.98 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 50.2 mm -44.62 -60.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.11 95.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.696 ' O ' HG12 ' A' ' 68' ' ' VAL . 25.3 t60 -52.3 -40.02 61.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.433 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 3.0 m-70 -45.84 -27.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 67' ' ' ARG . 7.7 mtp-105 -89.17 29.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 65' ' ' HIS . 12.4 p -103.97 -20.21 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CD2' HG13 ' A' ' 68' ' ' VAL . 61.7 m-70 -105.61 -59.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -143.86 130.76 20.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.64 77.65 0.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -108.56 -46.49 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.75 155.51 16.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 3.1 2.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t 74.37 46.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.4 p 39.05 43.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.482 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -111.96 -47.65 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 62.97 41.71 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.21 69.55 1.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -97.76 -51.96 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 m -103.24 103.79 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.02 -139.76 4.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.58 151.43 38.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -166.54 165.72 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.97 160.35 21.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.53 -46.74 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.28 155.4 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -122.6 -40.84 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -119.82 127.62 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -82.07 -75.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -139.72 118.08 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' CZ ' ' HA ' ' A' ' 28' ' ' PHE . 5.1 mtp180 -131.39 176.59 8.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -132.42 -60.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.65 137.79 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -143.96 129.97 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -75.28 145.17 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -96.37 -29.31 14.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.43 -44.5 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.14 -52.94 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 17.9 1.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -72.07 163.49 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -134.6 145.39 48.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 17' ' ' ARG . 5.4 m-85 -142.87 167.06 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -94.95 -44.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -99.93 151.32 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -73.43 -48.12 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -47.21 -41.91 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -60.82 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.1 tp -44.55 -53.7 6.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 t -45.27 -39.19 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -73.0 -39.2 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' ARG . 8.5 t60 -54.78 -58.79 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -35.45 -43.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' THR . 49.2 mtm180 -39.04 -52.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' HIS . 68.8 p -37.93 -55.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' THR . 65.6 m-70 -34.52 -49.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.2 t -99.1 142.87 30.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.29 -106.4 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -134.13 -52.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HG13 ' A' ' 57' ' ' ILE . 1.3 mppt? -103.48 144.02 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.82 -5.32 15.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.9 m-85 -129.09 139.34 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 55' ' ' ALA . 9.4 ttmt -158.79 121.39 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.71 120.57 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -38.18 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -44.41 -50.7 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.8 p -105.26 -47.4 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.38 34.14 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -107.59 147.92 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . . . -108.22 147.58 31.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -130.91 140.46 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.465 HG13 ' CG ' ' A' ' 45' ' ' LYS . 5.3 mp -82.24 -48.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -92.41 173.7 7.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tpp180 -78.4 -54.41 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 p -55.8 -25.7 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -28.46 66.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 14.9 tp -100.94 -43.78 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.0 mt -45.18 -30.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.46 -56.24 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.498 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.5 t60 -43.59 -44.48 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' HIS . 5.6 m80 -34.65 -60.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -40.79 -42.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 65' ' ' HIS . 89.1 t -39.29 -51.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -77.41 160.55 28.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLY . 86.0 m -106.81 91.42 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -35.43 -71.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t 67.44 42.94 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.07 -65.64 1.79 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -11.22 30.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -92.25 144.24 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 m -56.17 152.07 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -165.8 173.45 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -137.56 175.29 9.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.44 128.44 6.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -105.26 148.23 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -69.35 176.74 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.55 160.56 30.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -140.23 165.24 27.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 t -147.94 116.1 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -127.1 147.17 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -65.92 171.73 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -83.92 -59.79 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -144.84 143.49 30.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -102.54 140.56 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -76.14 126.27 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -84.48 136.95 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmt-85 -146.52 169.15 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -59.98 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' HD22 ' A' ' 34' ' ' LEU . 28.6 m-85 -109.15 138.11 46.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -143.71 128.13 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.2 151.11 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 -24.5 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.69 -50.8 72.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.18 -48.27 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.25 31.64 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 40.0 tttt -94.59 163.73 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.4 p -129.04 147.1 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 51.7 m-85 -136.21 168.19 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.7 m -89.91 -42.9 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -102.19 146.47 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -70.82 -44.36 66.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -54.57 -48.98 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -55.28 -42.34 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' A' ' 38' ' ' ARG . 9.9 tp -59.27 -43.07 92.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -51.92 -53.9 35.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -59.8 -40.94 90.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -51.4 -46.75 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -44.43 -43.22 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 42' ' ' THR . 58.5 mtp180 -44.93 -48.43 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ARG . 80.4 p -37.26 -35.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -77.83 61.74 2.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 39' ' ' ARG . 23.1 p -134.75 81.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -177.64 -178.16 47.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' LYS . 39.6 mt-10 -85.14 -41.46 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -35.47 98.17 0.14 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.78 -8.59 24.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.9 m-85 -116.47 149.74 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 49' ' ' CYS . 27.9 tttt -171.06 150.65 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 14.3 t -103.98 166.64 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.48 -64.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CD ' ' CD2' ' A' ' 69' ' ' HIS . 4.5 pt-20 -43.41 -61.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 p -82.24 -39.36 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.58 51.06 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -115.29 144.47 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.86 153.99 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 62' ' ' LEU . 22.9 m-85 -139.42 114.99 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.8 mp -54.77 -50.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -102.88 168.27 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.516 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 18.8 ttm180 -76.65 -46.26 26.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -53.94 -31.22 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -30.36 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 56' ' ' PHE . 15.5 tp -91.45 -35.48 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' SER . 70.2 mt -46.11 -45.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.76 -35.27 40.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' VAL . 36.4 t60 -50.64 -35.17 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -55.85 -32.19 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -83.04 19.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 65' ' ' HIS . 51.1 t -103.59 -40.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 51' ' ' GLU . 90.3 m-70 -82.65 126.25 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -113.32 111.96 22.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 148.2 -134.72 5.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.6 p -168.45 154.03 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.6 124.66 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 132.57 23.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -77.0 -45.12 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.8 t -153.94 113.17 3.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.472 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -132.23 145.33 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -94.72 -58.92 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.38 171.69 44.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 p -164.8 130.99 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -123.69 176.7 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.52 176.07 17.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -165.12 136.22 4.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -134.34 132.39 39.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -123.05 109.78 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -119.09 153.27 35.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 72.55 42.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -126.43 86.5 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ttp-105 -71.22 162.72 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -109.72 111.34 22.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -134.64 88.02 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -103.73 -176.64 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -96.76 -47.62 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 34' ' ' LEU . 3.9 m-85 -109.23 152.94 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -153.33 166.02 33.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 9.5 t -116.99 74.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 16.9 t70 -37.32 -34.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -46.97 -50.57 18.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.09 -48.49 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.57 33.18 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -104.4 153.07 21.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 p -125.75 149.15 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.1 m-85 -137.0 149.68 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 m -78.29 -38.84 41.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.75 120.07 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.486 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 45.0 t -51.97 -47.94 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.37 -44.58 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.2 -60.66 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 19' ' ' TYR . 19.0 tp -38.14 -36.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.3 m -62.48 -56.09 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 19.8 pttt -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.862 ' O ' HG22 ' A' ' 40' ' ' THR . 20.8 t60 -57.77 -57.85 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.84 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' THR . 2.1 mmp_? -57.54 -46.11 84.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.0 t -43.81 -26.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 94.2 m-70 -83.69 83.69 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 39' ' ' ARG . 33.0 p -124.97 -20.48 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.3 58.7 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -111.71 -52.3 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 18.5 mtmt -102.17 122.66 46.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.72 -6.22 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.409 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.0 m-85 -121.15 137.13 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 41' ' ' HIS . 23.5 tttp -169.12 129.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.61 146.33 27.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.6 -53.44 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.8 -67.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 p -76.79 -53.1 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.41 38.05 2.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -113.94 158.46 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 45' ' ' LYS . . . -112.21 160.78 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -147.28 132.8 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.571 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.1 mp -73.01 -49.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 14.1 mm-40 -90.41 164.35 14.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.479 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 5.6 t -41.88 -53.3 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 32.2 m170 -36.46 -42.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 7.2 tp -84.16 -33.94 24.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 47.5 mm -48.58 -57.12 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -41.5 82.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.748 ' CE1' HG11 ' A' ' 68' ' ' VAL . 10.9 t60 -48.98 -41.88 35.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 12.9 m80 -38.97 -31.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -84.45 29.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 65' ' ' HIS . 7.3 p -99.19 -13.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.28 80.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.4 p -87.52 -37.75 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.49 97.31 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.3 t -122.7 -58.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.54 71.68 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 164.29 35.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -75.01 165.21 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.5 m -103.3 -56.32 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.465 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -121.78 150.84 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -151.08 177.09 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.34 -141.01 10.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -157.56 171.21 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -61.69 157.78 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.77 137.91 5.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -96.42 161.36 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -77.89 105.24 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -100.68 83.19 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -47.28 -60.67 2.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 pp0? -56.4 140.31 45.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -127.83 -50.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -154.91 111.1 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' ARG . 54.6 mt-10 -37.72 139.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 132.88 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtt85 -151.96 172.28 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -65.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.11 154.36 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -150.72 156.54 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 t -109.95 76.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -39.0 -31.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.78 -55.17 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.3 -49.89 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.08 24.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -94.96 168.69 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -141.99 143.89 33.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -129.34 168.97 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.2 m -93.64 -41.5 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -111.11 131.95 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.4 p -50.29 -47.28 55.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 m -45.46 -46.55 13.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -56.9 -56.46 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.9 tp -50.88 -51.14 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -45.77 -43.45 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -68.31 -37.1 80.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ARG . 28.2 t60 -61.57 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -35.95 -36.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' O ' HG22 ' A' ' 42' ' ' THR . 71.8 mtt180 -53.94 -48.61 70.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' HIS . 74.1 p -40.81 -33.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -75.84 60.66 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 39' ' ' ARG . 1.8 t -134.84 74.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.37 42.07 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.4 tt0 -149.85 176.01 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' GLU . 31.1 mttp -33.41 96.85 0.1 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.519 0.676 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.2 Cg_endo -69.84 2.29 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.3 m-85 -121.66 138.23 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -170.1 117.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.0 t -73.49 152.44 40.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.2 -41.38 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.29 -49.13 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -98.24 -40.57 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.11 42.68 4.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -117.55 145.51 44.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.85 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 7.2 m-85 -131.12 157.43 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.31 -51.28 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 59.3 mm-40 -95.94 161.8 13.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -69.34 -58.72 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 p -43.54 -37.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -55.32 -39.55 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 tp -89.55 -50.39 6.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.9 mt -37.44 -56.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.29 -45.39 86.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -41.43 -42.21 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -37.99 -53.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' VAL . 30.0 mtp180 -47.13 -48.06 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' ARG . 61.3 t -36.96 -49.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -73.68 154.95 39.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 p -117.39 111.99 20.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.54 155.83 26.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 m -119.33 41.53 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.45 -144.77 36.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 12' ' ' GLN . 54.2 Cg_endo -69.74 173.68 10.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.5 t -51.44 114.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.6 t -58.97 155.78 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.469 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -137.21 168.28 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -154.08 174.97 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.19 158.82 28.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -170.39 148.27 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -85.25 151.69 23.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.07 -154.33 8.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -110.98 107.71 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -67.96 112.71 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.98 79.57 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 12' ' ' GLN . 37.4 p-90 -78.67 -46.66 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 30.4 tt0 -77.23 108.0 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -110.55 -35.59 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 55.73 46.64 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.43 110.06 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -102.06 138.8 38.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -130.33 167.12 19.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.13 -55.23 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -96.55 156.43 16.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -152.34 133.42 14.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.21 107.96 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.48 41.74 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.61 -42.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.2 -48.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.78 41.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -107.4 167.27 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -142.08 146.08 35.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -136.36 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -81.28 -44.17 18.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -105.28 150.31 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -70.07 -48.7 56.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -44.87 -48.4 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.36 -60.17 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.2 tp -45.81 -54.77 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -43.16 -39.72 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -73.22 -50.02 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.989 ' O ' HG22 ' A' ' 40' ' ' THR . 14.2 t60 -44.18 -57.68 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -36.25 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 42' ' ' THR . 57.8 mtt180 -50.21 -49.62 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 37' ' ' HIS . 4.0 t -42.34 -27.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -80.17 85.77 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 39' ' ' ARG . 39.1 p -121.06 -45.73 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.39 48.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.65 26.85 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -138.8 119.43 9.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.76 -4.91 14.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 59' ' ' ARG . 32.3 m-85 -115.5 154.35 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.09 147.83 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 36.9 t -102.68 161.96 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 18.9 m-20 -105.16 -47.18 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.09 -60.35 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 28.4 p -83.47 -39.86 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.76 41.8 7.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -116.88 152.63 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.51 150.55 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.46 148.34 47.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.5 mt -74.49 -58.72 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.533 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 55.4 mm-40 -90.2 139.54 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 4.9 ptm180 -55.61 -46.7 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.736 ' HA ' HD12 ' A' ' 63' ' ' ILE . 40.0 t -47.21 -49.3 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -43.58 -37.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -85.22 -39.65 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 60' ' ' SER . 75.9 mt -44.78 -57.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.54 83.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 29.5 t60 -50.72 -35.34 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -51.12 -32.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -84.32 27.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 65' ' ' HIS . 97.6 t -109.9 -54.98 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 52' ' ' CYS . 69.8 m-70 -58.49 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -97.53 -49.66 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.99 153.44 16.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -94.15 -50.55 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.63 -119.2 5.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 96.06 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.2 m -65.57 170.61 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -73.5 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.466 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -171.1 137.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -159.16 154.5 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.16 143.69 3.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -159.3 165.0 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.821 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -164.39 135.01 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.13 120.0 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -70.41 98.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 10' ' ' GLU . 26.5 m -148.05 165.42 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -34.47 112.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CE3' ' HG3' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -143.2 137.68 29.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.559 ' HG3' ' CE3' ' A' ' 11' ' ' TRP . 21.0 mt-30 63.44 42.07 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.41 96.75 7.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -85.81 118.79 25.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -98.51 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -101.42 139.43 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -126.74 174.78 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -73.85 -46.13 46.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 4.2 m-85 -103.99 150.76 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -162.96 121.64 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.59 84.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.92 -28.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.21 -50.31 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.69 -44.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 22.15 2.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -92.3 165.06 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -136.53 161.35 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -148.78 147.43 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.4 m -78.31 -33.46 49.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.44 116.9 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 77.1 p -45.32 -48.15 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -44.38 -57.74 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.99 -63.91 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD21 HH21 ' A' ' 38' ' ' ARG . 2.3 tp -39.1 -61.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' LEU . 37.2 m -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -65.59 -39.83 92.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 1.01 ' O ' HG22 ' A' ' 40' ' ' THR . 21.1 t60 -64.18 -47.53 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 34' ' ' LEU . 11.9 mtt180 -42.93 -29.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 42' ' ' THR . 84.5 mtt180 -57.28 -42.7 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.1 t -44.14 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 66.6 m-70 -91.36 54.49 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 39' ' ' ARG . 46.1 p -133.46 -54.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.22 44.67 0.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -147.5 166.56 26.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -50.41 139.87 19.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.74 -2.08 9.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 45.6 m-85 -139.31 121.37 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -139.94 115.55 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.5 t -79.8 118.4 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.66 -39.94 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -42.42 -54.75 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -101.77 -45.11 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.14 31.62 3.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tttp -101.75 149.16 24.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.82 142.5 46.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.0 m-85 -139.83 149.43 43.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.71 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.525 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 11.2 tp60 -64.9 174.07 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 11.2 tpp180 -86.75 -57.94 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.3 t -51.66 -47.17 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.525 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 1.5 m-70 -34.48 -34.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' SER . 23.0 tp -93.86 -38.98 10.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' SER . 40.6 mm -49.19 -36.57 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.67 -44.24 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.3 t60 -49.3 -42.6 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ARG . 11.0 m80 -38.15 -35.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 22.5 ptt180 -37.45 -46.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.606 HG23 ' N ' ' A' ' 69' ' ' HIS . 33.5 m -45.11 -50.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.606 ' N ' HG23 ' A' ' 68' ' ' VAL . 29.7 m-70 -91.06 170.03 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 m -154.18 126.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -152.1 -167.27 14.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.8 p -98.52 128.63 44.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.54 -157.25 22.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 89.06 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -169.02 141.0 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t -119.48 126.91 52.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.514 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -92.2 42.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -112.0 99.39 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.89 -75.52 0.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -114.62 122.1 45.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -62.99 132.56 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 159.18 21.39 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -117.98 110.5 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 p -113.32 93.27 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.92 96.24 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -69.94 -39.48 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TRP . 24.1 mp0 -34.87 -49.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -85.78 92.6 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -92.95 125.66 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -49.91 168.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -118.25 178.64 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -137.47 148.63 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -109.2 -53.42 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 25.7 m-85 -104.57 158.81 16.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -153.4 146.67 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.6 t -102.46 77.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -39.06 -30.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 mm-40 -49.37 -46.83 47.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -119.83 -46.52 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.25 11.25 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.77 164.59 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.1 p -143.91 133.48 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CZ ' ' HG2' ' A' ' 26' ' ' LYS . 5.7 m-85 -131.72 144.32 50.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m -67.88 -45.08 75.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -99.66 145.47 27.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 87.6 p -68.81 -53.33 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -40.56 -51.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -52.7 60.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HD2' ' A' ' 38' ' ' ARG . 25.5 tp -49.98 -39.8 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -39.86 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.5 t60 -72.57 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -36.7 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' HIS . 82.2 mtp180 -63.55 -47.57 81.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' HIS . 3.6 t -43.72 -28.94 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 59.4 m-70 -52.58 -49.74 64.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -104.02 139.25 39.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.0 36.06 92.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -170.99 175.72 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 1.3 mptm? -68.73 143.65 95.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo -69.77 1.02 4.82 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.322 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 57.6 m-85 -139.24 138.2 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -154.12 150.1 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.0 t -110.15 162.28 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.36 -35.36 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 53.3 mm-40 -60.93 -48.55 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 p -101.37 -38.97 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.21 43.61 5.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 39.6 tttp -115.93 149.89 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -100.35 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -148.67 138.1 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -81.9 -55.5 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -88.6 177.81 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -81.52 -58.99 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -40.72 -31.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -59.45 -45.49 91.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 6.9 tp -88.13 -40.43 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -41.01 -66.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.27 97.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.849 ' O ' HG12 ' A' ' 68' ' ' VAL . 86.5 t60 -44.94 -48.29 11.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.819 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -38.82 -37.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -61.08 -52.34 65.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 65' ' ' HIS . 3.8 p -45.51 -25.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 51' ' ' GLU . 17.1 m-70 -96.09 154.01 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -64.93 130.66 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.77 -174.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -70.8 175.93 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.32 -113.71 3.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 135.66 30.91 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -112.53 114.34 26.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -81.29 114.44 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.474 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -151.77 173.27 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.352 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -140.86 156.51 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.65 -162.92 9.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -44.16 151.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -102.5 -49.12 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.09 152.06 17.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.6 ptm180 -162.39 164.97 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' ARG . 22.1 m -34.62 145.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 11' ' ' TRP . 7.6 tp10 -82.95 152.27 25.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -94.44 68.49 3.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -145.0 106.97 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -143.45 127.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 58.18 50.68 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -47.7 136.0 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -145.99 119.97 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -144.02 176.3 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -124.22 -61.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -136.37 139.59 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 8.5 t -92.03 74.13 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.4 p-10 -36.39 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' CYS . 23.7 mt-10 -48.12 -53.96 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 p -109.32 -48.47 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.26 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HZ3' ' CE1' ' A' ' 37' ' ' HIS . 18.3 mtpt -99.18 172.16 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.4 p -147.65 147.81 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -141.07 161.24 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 m -81.17 -45.39 16.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -99.53 141.29 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.5 p -67.83 -46.99 70.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -44.94 -46.94 11.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -58.41 -57.71 11.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -49.21 -47.44 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -50.03 -49.47 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -63.27 -42.46 99.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.869 ' O ' HG22 ' A' ' 40' ' ' THR . 5.1 t60 -56.2 -54.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . 8.1 mtp180 -39.11 -28.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' HIS . 51.6 mtp85 -53.23 -46.67 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.7 t -44.4 -28.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 40.6 m-70 -74.71 79.6 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 39' ' ' ARG . 9.5 t -171.79 127.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.08 -165.68 13.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -99.95 44.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.29 79.11 1.54 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.75 -3.69 12.52 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.365 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.2 m-85 -123.71 132.49 53.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -162.18 140.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -89.45 158.6 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -100.12 -51.67 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -44.24 -63.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -81.44 -39.93 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.65 49.66 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -121.76 149.73 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.45 151.17 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -138.18 162.93 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.22 -57.24 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 15.4 mm100 -91.03 139.12 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 14.9 ptt-85 -53.05 -47.07 68.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -42.19 -41.89 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -53.52 -41.59 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.25 -46.32 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.7 mt -43.66 -56.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.62 58.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 68' ' ' VAL . 3.9 t60 -51.4 -39.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -45.02 -23.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -95.61 27.23 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 65' ' ' HIS . 13.0 p -96.18 -34.5 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -94.03 131.48 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -124.18 140.59 52.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.79 72.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 t -73.75 114.47 12.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 53.6 -149.69 13.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.54 34.19 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.7 t -41.52 120.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' GLY . 12.3 m -39.82 -58.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -168.63 171.66 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -139.98 144.67 37.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.01 133.29 24.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -81.63 177.07 9.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.919 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -72.9 100.81 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.65 -107.86 2.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -56.23 132.59 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 t -92.2 41.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -115.82 98.58 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -138.93 133.5 31.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -134.95 41.43 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -148.88 165.0 32.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -61.18 128.08 34.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -50.96 151.04 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -48.76 -44.69 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 mmt-85 -93.52 154.96 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -63.2 -39.39 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.56 139.95 23.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -141.58 142.4 33.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 14.7 t -93.11 77.63 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -34.54 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' CYS . 25.9 mm-40 -47.34 -56.82 6.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -103.77 -46.26 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.76 34.38 1.55 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -110.41 153.26 25.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 p -122.81 140.28 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -121.19 148.08 44.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -74.9 -40.05 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -106.71 113.41 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -40.79 -25.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' HIS . 9.8 m -62.28 -58.48 7.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.27 -56.9 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.4 tp -45.56 -61.36 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 18.0 t -39.7 -48.54 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -65.71 -48.51 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.826 ' O ' HG22 ' A' ' 40' ' ' THR . 14.0 t60 -53.06 -54.88 28.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 35' ' ' SER . 7.5 mtt85 -37.03 -33.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' HIS . 64.6 mtp180 -48.84 -49.84 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.57 -23.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 53.3 m-70 -85.69 88.45 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 p -117.33 174.78 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.65 -104.51 2.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 pm0 -81.8 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 56' ' ' PHE . 26.7 mttt -35.36 128.79 0.55 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.74 1.77 4.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 43.3 m-85 -139.54 134.24 31.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -164.24 146.91 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.4 t -101.65 129.49 47.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.62 -41.25 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.56 -59.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -46.98 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.64 41.03 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -115.51 143.08 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.61 145.19 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 6.9 m-85 -133.22 144.21 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 89.7 mt -70.76 -62.81 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 13.6 mm100 -85.01 141.44 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.556 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -53.49 -50.22 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 63' ' ' ILE . 88.4 p -42.74 -50.84 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -40.65 -39.1 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -78.61 -41.43 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 60' ' ' SER . 74.8 mt -45.31 -50.46 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.64 -48.5 28.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 1.003 ' O ' HG22 ' A' ' 68' ' ' VAL . 23.0 t60 -47.18 -45.94 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.462 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 8.5 m80 -38.92 -37.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' HIS . 15.5 mmt180 -45.03 -54.65 6.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 65' ' ' HIS . 29.8 m -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' ARG . 19.8 m-70 -114.79 174.27 6.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -104.68 91.39 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.65 137.25 6.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 p -160.02 178.09 10.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.23 -66.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 175.32 8.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 p -84.61 154.68 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -98.21 -52.54 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.532 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -115.09 118.91 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 p -141.12 122.09 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.48 171.24 21.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -123.89 176.42 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -82.03 -22.15 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.32 -72.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 61.73 42.34 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -111.68 159.62 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -115.98 140.28 49.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' GLN . 40.1 m95 -144.72 179.1 7.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' TRP . 18.5 pt20 34.43 40.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -158.44 129.68 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 5.5 ppt_? -43.38 144.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -131.25 153.33 49.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -127.68 137.89 52.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.47 162.82 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -72.55 -50.21 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 28.6 m-85 -115.94 148.04 40.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -150.02 127.17 11.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 7.8 t -76.5 77.88 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.76 -31.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -46.92 -50.19 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.86 -45.97 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.05 31.54 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 12.9 tttp -101.54 163.02 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -131.65 143.49 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 20.4 m-85 -132.44 168.63 17.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -99.18 -38.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -110.73 112.85 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 79.5 p -39.9 -46.5 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 m -44.46 -44.16 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -60.2 -64.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.1 tp -34.2 -39.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.0 m -62.1 -56.57 17.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -58.05 -35.62 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 40' ' ' THR . 6.8 t60 -58.66 -61.13 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -30.98 -46.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 42' ' ' THR . 51.3 mtt180 -39.78 -51.28 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' HIS . 12.9 t -42.02 -39.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 54.7 m-70 -42.24 -40.05 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 39' ' ' ARG . 58.5 p -35.77 -57.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.54 160.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -128.57 -40.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.612 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -63.27 156.3 69.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.8 3.43 2.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 44.2 m-85 -151.69 138.05 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -153.99 132.91 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.7 t -94.35 102.37 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -54.49 -45.43 73.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -38.32 -62.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 p -90.78 -52.73 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' CYS . . . 114.83 30.49 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -108.99 148.08 31.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -106.16 146.7 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.76 100.75 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -37.33 -47.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 8.7 tt0 -88.15 170.66 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 17.2 ttt180 -88.65 -52.89 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ILE . 82.8 p -49.2 -53.18 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 20.0 m170 -38.24 -35.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' A' ' 66' ' ' HIS . 21.5 tp -80.63 -42.31 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' SER . 50.1 mm -46.13 -44.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.03 -52.52 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' VAL . 4.0 t60 -47.48 -44.7 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 20.0 m-70 -39.15 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' HIS . 11.5 mtp180 -86.38 30.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' HIS . 9.8 p -103.33 -30.94 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -95.2 76.74 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 71' ' ' GLY . 10.1 t -68.17 -42.89 79.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 70' ' ' THR . . . -142.93 121.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.5 m -78.94 -48.51 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 110.809 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.79 -149.54 9.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 106.3 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -44.96 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 m 50.43 42.44 26.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.477 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 9.0 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.913 0.387 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -143.11 145.62 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -93.33 142.9 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -93.02 -24.47 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.5 -59.63 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.95 -49.67 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.7 40.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -110.64 161.5 15.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 89.4 p -125.01 161.88 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 27' ' ' SER . 27.3 m-85 -145.96 155.02 42.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -78.24 -36.91 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -108.68 144.38 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 97.1 p -73.98 -34.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.19 -46.64 73.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD11 ' HD2' ' A' ' 38' ' ' ARG . 6.5 tp -58.54 -41.61 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 t -55.61 -43.63 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -70.44 -24.17 62.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 40' ' ' THR . 11.0 t60 -71.07 -54.35 11.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -42.29 -28.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -56.38 -44.27 80.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 37' ' ' HIS . 10.2 t -50.67 -17.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.5 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.775 0.24 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -131.68 143.42 50.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -162.8 120.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.2 t -69.5 161.73 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.63 -46.06 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.1 p -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.15 47.11 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.48 153.82 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.13 143.64 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.06 -56.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.543 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 45.3 mm-40 -83.37 160.4 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' CG ' HD11 ' A' ' 63' ' ' ILE . 9.9 tpp180 -71.55 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 77.3 p -41.01 -39.65 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 18.0 m170 -48.8 -44.51 39.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 15.8 tp -84.87 -44.61 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CG ' ' A' ' 59' ' ' ARG . 81.8 mt -44.74 -48.83 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.88 -41.09 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' HIS . 14.2 t60 -51.72 -47.22 64.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.7 m80 -36.82 -33.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' HIS . 25.7 mmm180 -43.98 -55.25 4.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 4.6 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.961 0.41 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -171.95 161.38 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.9 t -113.58 76.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.0 p-10 -37.2 -34.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.07 -54.61 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 p -109.11 -48.12 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.15 33.99 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -108.49 149.54 28.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 36.8 t -120.96 173.42 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 27' ' ' SER . 17.5 m-85 -158.97 149.23 19.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 m -71.97 -45.12 62.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.2 141.02 37.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.2 p -57.49 -46.71 83.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -46.18 -55.96 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -44.34 -60.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.76 -45.81 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 t -52.22 -50.25 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -61.7 -43.45 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ARG . 9.5 t60 -49.55 -54.77 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -37.41 -44.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -42.75 -47.91 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -42.46 -43.56 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.806 0.252 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 64.4 m-85 -133.69 144.73 49.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -165.72 147.31 7.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -105.69 156.16 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -100.21 -45.02 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.97 -59.94 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.64 -47.99 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.82 48.21 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 52.5 tttt -122.8 160.63 25.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . . . -113.58 151.89 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -138.7 132.97 31.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.2 mp -70.39 -55.03 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.533 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 3.4 tp-100 -81.57 145.87 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.36 -50.56 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -51.71 -49.66 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 34.6 m170 -42.33 -29.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.4 tp -87.05 -49.31 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.439 HD11 ' HD2' ' A' ' 59' ' ' ARG . 58.2 mt -46.05 -45.58 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.57 -53.86 9.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' ARG . 9.4 t60 -45.5 -50.38 12.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.481 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.3 m170 -34.36 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' HIS . 16.8 mtt180 -44.14 -53.04 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' ARG . 18.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 84.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -114.4 155.22 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.3 t -102.66 78.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -37.98 -32.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' CYS . 43.8 mm-40 -49.09 -54.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 p -110.05 -47.51 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 32.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -105.02 152.96 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -126.2 139.55 53.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.49 144.6 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -62.13 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -110.97 134.46 52.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 76.3 p -58.06 -55.48 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m -37.88 -45.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.68 -45.47 94.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 42.8 tp -56.14 -42.59 77.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.1 t -50.56 -50.38 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -63.48 -40.31 96.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -53.4 -53.38 52.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -42.34 -37.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -41.26 -48.01 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 p -38.11 -53.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.844 0.268 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -104.33 119.11 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -152.53 134.12 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -81.25 160.46 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.28 -45.2 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -53.35 -59.14 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -87.17 -45.26 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.93 6.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -92.91 165.31 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.12 160.61 21.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -153.27 151.16 29.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.6 mt -92.49 -51.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.466 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 20.3 mm-40 -91.79 151.56 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.06 -50.08 75.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.7 p -49.42 -48.86 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 21.3 m170 -42.64 -30.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' ILE . 39.0 tp -93.02 -51.78 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' LEU . 94.9 mt -37.76 -40.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' HIS . . . -73.51 -64.12 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 68' ' ' VAL . 39.0 t60 -34.72 -42.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 8.9 m80 -34.3 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' HIS . 21.2 ptt180 -36.4 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' HIS . 95.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 67.7 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.963 0.411 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -137.89 129.17 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.52 138.68 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.22 -32.69 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.53 -53.7 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.2 p -110.22 -48.24 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.36 36.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -100.82 163.05 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -128.71 148.04 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -135.31 162.12 33.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -84.78 -43.09 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.68 147.67 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t -67.22 -51.97 46.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.7 t -44.7 -41.52 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.36 -47.67 81.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.63 -44.35 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.7 t -50.79 -46.06 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -65.89 -44.75 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' THR . 10.8 t60 -48.06 -53.27 16.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -39.28 -44.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' THR . 8.1 mmm180 -37.37 -48.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' HIS . 63.4 p -35.95 -47.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.827 0.261 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 82.3 m-85 -120.29 134.85 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -148.07 144.65 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -105.25 -38.76 6.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -63.74 -58.49 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 18.2 p -87.74 -45.81 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 92.73 47.22 3.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -117.43 151.55 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.24 148.52 25.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' HB3' ' CB ' ' A' ' 61' ' ' HIS . 38.2 m-85 -132.38 175.79 8.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 61' ' ' HIS . 38.8 mm -93.41 -71.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 77.9 mm-40 -89.08 155.95 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -55.33 -46.8 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 63' ' ' ILE . 41.3 m -45.09 -41.51 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 56' ' ' PHE . 11.9 m170 -49.24 -43.44 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -80.02 -49.7 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 60' ' ' SER . 76.4 mt -39.76 -61.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.95 -44.53 61.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 62' ' ' LEU . 8.8 t60 -44.59 -47.73 10.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.0 m80 -40.26 -38.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -54.66 -42.89 71.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' HB3' HD22 ' A' ' 34' ' ' LEU . 14.2 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.974 0.416 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -123.22 162.41 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ASP . 12.8 t -110.6 80.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 22.8 t70 -36.58 -36.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.93 -54.61 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.57 -43.23 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.22 34.44 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -108.02 149.09 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 p -117.93 145.58 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' CZ ' ' CG ' ' A' ' 37' ' ' HIS . 17.0 m-85 -126.13 160.8 29.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -82.61 -37.67 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -109.0 122.31 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -51.5 -52.36 47.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -44.46 -46.24 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -61.02 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD11 ' HE ' ' A' ' 38' ' ' ARG . 11.1 tp -38.09 -37.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -56.57 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -58.15 -34.0 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.955 ' O ' HG22 ' A' ' 40' ' ' THR . 9.4 t60 -60.18 -50.64 72.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HE ' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -43.92 -29.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.82 -41.0 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.8 t -51.58 -22.8 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.78 0.242 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.3 m-85 -112.59 140.63 47.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -172.26 149.9 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 23.9 t -101.39 160.78 14.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t0 -100.92 -55.43 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -41.49 -64.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.48 -47.67 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.59 64.27 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 35.9 tttp -136.19 138.67 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.32 155.92 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.671 ' CE1' HD13 ' A' ' 62' ' ' LEU . 7.8 m-85 -144.41 143.85 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.49 -53.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -100.89 137.43 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HG3' HD11 ' A' ' 63' ' ' ILE . 19.8 tpt180 -51.45 -57.81 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 m -34.52 -49.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -45.87 -47.72 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.671 HD13 ' CE1' ' A' ' 56' ' ' PHE . 30.4 tp -75.84 -39.71 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 59' ' ' ARG . 43.9 mm -37.61 -59.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.47 41.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.2 t60 -38.93 -46.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 20.1 m80 -34.34 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' HIS . 23.9 mtp180 -35.84 -51.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 65' ' ' HIS . 31.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 14.6 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.943 0.401 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -142.88 120.6 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 15.6 t -69.58 74.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.3 p-10 -34.59 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' CYS . 47.2 mt-10 -49.04 -52.18 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 p -107.46 -50.09 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.23 26.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -103.19 152.88 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.3 p -120.64 141.03 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.46 154.76 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -79.01 -41.26 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -109.1 127.52 54.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 75.5 p -48.7 -39.04 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.6 m -51.4 -59.59 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -58.71 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 11.1 tp -44.67 -58.4 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 47.1 t -43.88 -53.13 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -61.49 -36.67 81.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 40' ' ' THR . 6.3 t60 -65.03 -58.2 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' HIS . 8.0 mtt85 -34.93 -38.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' HIS . 28.9 mtp180 -52.87 -48.86 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 37' ' ' HIS . 15.3 t -37.3 -33.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' ARG . 80.3 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.198 0 CA-C-O 120.817 0.257 . . . . 0.0 112.335 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 39.2 m-85 -124.14 142.2 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.29 108.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.63 144.05 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.92 -40.96 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.49 -66.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.8 -46.99 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.05 33.86 5.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 55' ' ' ALA . 1.6 tmtt? -105.82 150.69 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' A' ' 54' ' ' LYS . . . -112.1 149.75 31.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.038 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -135.62 152.58 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.0 mt -85.64 -56.61 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 3.0 mp0 -78.46 173.87 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.694 ' CD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -83.94 -53.19 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.9 p -55.81 -19.66 12.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 35.1 m170 -63.38 -26.85 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 26.2 tp -98.62 -39.92 8.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' CD ' ' A' ' 59' ' ' ARG . 46.3 mt -49.54 -42.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.79 7.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.6 t60 -50.33 -44.19 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.549 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.1 m80 -36.33 -34.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 8.6 ptm180 -40.52 -47.05 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 19.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 54.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.957 0.408 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -157.4 136.45 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -84.63 79.45 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.34 -25.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.59 -58.55 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 p -99.95 -49.08 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.66 34.26 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -107.72 157.4 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.4 p -126.73 150.9 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.52 146.86 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -72.76 -40.08 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.51 134.67 50.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 37.4 p -57.4 -47.14 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -44.52 -62.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -38.64 -58.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.609 HD21 ' NH2' ' A' ' 38' ' ' ARG . 16.7 tp -46.81 -46.16 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 t -45.49 -45.57 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -37.49 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.956 ' O ' HG22 ' A' ' 40' ' ' THR . 47.2 t60 -58.1 -45.98 86.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.609 ' NH2' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -46.72 -28.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -54.38 -42.32 70.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.956 HG22 ' O ' ' A' ' 37' ' ' HIS . 13.5 t -56.5 -23.34 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.782 0.243 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 53.6 m-85 -139.74 138.5 35.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -160.08 144.15 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 34.0 t -95.01 143.84 26.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.47 -44.72 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -47.27 -59.81 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.45 -46.66 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.22 32.5 5.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HD2' ' CE2' ' A' ' 56' ' ' PHE . 15.7 ttmt -111.37 151.62 28.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.7 159.9 15.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 4.1 m-85 -148.13 133.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -61.88 -61.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.2 mt-30 -87.01 146.28 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 6.3 ptm180 -58.05 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 t -46.61 -48.57 19.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.3 m170 -44.16 -33.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 5.9 tp -91.74 -43.3 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.7 mt -48.94 -41.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.31 -38.77 10.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.931 ' O ' HG22 ' A' ' 68' ' ' VAL . 1.8 t60 -46.46 -36.91 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -40.71 -27.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' HIS . 18.2 ptp180 -56.47 -47.08 79.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 65' ' ' HIS . 27.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.946 0.403 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -166.69 133.37 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.2 t -89.22 75.82 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -38.75 -28.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' CYS . 9.3 mp0 -50.89 -48.34 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -50.38 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.21 15.84 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -85.28 171.52 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.605 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 58.5 p -147.17 146.3 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -146.55 126.08 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -57.98 -33.78 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -97.67 128.7 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 96.9 p -64.59 -52.4 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -46.1 -50.2 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.94 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 19' ' ' TYR . 6.0 tp -53.44 -43.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.7 t -52.26 -43.73 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.67 -25.26 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.884 ' O ' HG22 ' A' ' 40' ' ' THR . 7.2 t60 -69.61 -52.65 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -26.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.2 mmm180 -57.37 -47.84 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.884 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.95 -25.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.762 0.234 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 61.5 m-85 -118.5 136.35 53.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -157.66 143.75 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.05 158.86 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -107.96 -26.93 10.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.79 -40.17 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 15.4 p -111.64 -46.27 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 95.07 56.67 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 5.0 ttpm? -125.97 131.01 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.07 136.69 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 82.2 m-85 -123.48 109.94 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -49.76 -50.72 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 31.2 mm-40 -91.49 175.67 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -86.86 -52.87 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -49.67 -48.2 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 24.3 m170 -44.99 -29.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 tp -87.14 -44.11 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -46.2 -55.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.3 -40.92 94.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 68' ' ' VAL . 27.5 t60 -48.41 -41.36 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -44.4 -26.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -51.53 -48.48 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 65' ' ' HIS . 15.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 84.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 21' ' ' CYS . 42.5 tttm -146.24 161.96 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 7.2 t -115.16 77.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -39.54 -30.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -50.18 -54.09 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 p -110.58 -50.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.77 31.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.538 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -105.61 153.0 22.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 27.0 p -125.37 164.25 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' SER . 21.7 m-85 -149.98 177.32 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -100.22 -41.57 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -103.31 139.02 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.3 p -64.05 -46.9 82.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -51.26 -47.05 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.88 -54.4 46.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' TYR . 5.7 tp -53.31 -42.36 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -51.61 -49.28 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -65.07 -28.41 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 40' ' ' THR . 7.3 t60 -68.64 -40.62 80.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -62.67 -36.31 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -56.69 -41.42 77.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 37' ' ' HIS . 1.9 t -50.33 -19.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.788 0.245 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.8 m-85 -141.01 129.73 22.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -148.24 136.33 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.2 163.62 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -109.55 -40.93 4.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -58.3 -52.9 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.9 p -99.36 -40.25 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.49 35.35 6.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 16.4 tptm -89.74 151.39 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.13 139.99 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CZ ' ' HG2' ' A' ' 54' ' ' LYS . 4.2 m-85 -141.14 156.05 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.33 -53.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 40.7 tp60 -83.02 151.73 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -63.62 -45.37 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -54.98 -42.05 71.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 58' ' ' GLN . 36.4 m170 -49.02 -25.95 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.39 -39.59 9.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.82 -40.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.4 -43.94 23.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.41 ' HA ' HG23 ' A' ' 68' ' ' VAL . 32.0 t60 -48.53 -26.88 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -53.74 -33.62 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -87.66 27.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 65' ' ' HIS . 87.0 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.939 0.399 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -148.94 134.78 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.1 t -84.29 73.07 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.5 m-20 -35.9 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' CYS . 5.3 mp0 -49.82 -51.67 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' O ' ' NE ' ' A' ' 59' ' ' ARG . 11.8 p -110.06 -50.0 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.35 22.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -92.75 167.11 12.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.2 p -142.36 137.55 30.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -123.94 165.05 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -88.86 -35.63 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -113.59 121.82 45.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -49.14 -48.93 44.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -42.36 -52.77 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.55 -50.48 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 19' ' ' TYR . 13.7 tp -50.45 -39.96 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -57.03 -41.67 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -69.77 -33.48 72.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 40' ' ' THR . 16.0 t60 -61.66 -54.91 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -40.6 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' HIS . 53.8 mtp180 -63.91 -45.09 90.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.6 t -47.0 -24.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 46' ' ' PRO . 73.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.763 0.235 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.7 m-85 -134.19 138.56 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -170.88 118.28 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.39 163.79 24.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.16 -41.65 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.18 -49.72 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.69 34.68 4.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -107.85 151.53 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 56' ' ' PHE . . . -100.2 167.76 10.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 55' ' ' ALA . 64.7 m-85 -156.15 135.8 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.07 -45.76 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -101.23 159.78 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 24' ' ' CYS . 47.6 ttt180 -74.45 -56.62 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.495 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 72.8 m -38.95 -48.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -48.07 -42.98 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 HD21 ' HE1' ' A' ' 66' ' ' HIS . 8.8 tp -77.47 -34.98 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 50.2 mm -44.62 -60.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.11 95.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.696 ' O ' HG12 ' A' ' 68' ' ' VAL . 25.3 t60 -52.3 -40.02 61.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.5 ' HE1' HD21 ' A' ' 62' ' ' LEU . 4.0 m80 -45.84 -27.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 67' ' ' ARG . 7.7 mtp-105 -89.17 29.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 65' ' ' HIS . 12.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.948 0.404 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -143.96 129.97 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -75.28 145.17 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -96.37 -29.31 14.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.43 -44.5 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.14 -52.94 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 17.9 1.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -72.07 163.49 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -134.6 145.39 48.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -142.87 167.06 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -94.95 -44.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -99.93 151.32 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -73.43 -48.12 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -47.21 -41.91 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -60.82 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.1 tp -44.55 -53.7 6.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 t -45.27 -39.19 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -73.0 -39.2 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' ARG . 8.5 t60 -54.78 -58.79 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -35.45 -43.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' THR . 49.2 mtm180 -39.04 -52.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' HIS . 68.8 p -37.93 -55.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' THR . 65.6 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.769 0.237 . . . . 0.0 112.3 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.9 m-85 -129.09 139.34 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 55' ' ' ALA . 9.4 ttmt -158.79 121.39 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.71 120.57 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -38.18 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -44.41 -50.7 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.8 p -105.26 -47.4 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.38 34.14 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -107.59 147.92 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . . . -108.22 147.58 31.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -130.91 140.46 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.24 -48.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.0 mt-30 -92.41 173.7 7.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tpp180 -78.4 -54.41 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 p -55.8 -25.7 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m170 -59.23 -28.46 66.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 14.9 tp -100.94 -43.78 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.0 mt -45.18 -30.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.46 -56.24 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.498 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.5 t60 -43.59 -44.48 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' HIS . 5.6 m80 -34.65 -60.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -40.79 -42.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 65' ' ' HIS . 89.1 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' HD22 ' A' ' 34' ' ' LEU . 28.6 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -143.71 128.13 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.2 151.11 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 -24.5 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.69 -50.8 72.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.18 -48.27 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.25 31.64 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 40.0 tttt -94.59 163.73 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.4 p -129.04 147.1 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 51.7 m-85 -136.21 168.19 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.7 m -89.91 -42.9 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -102.19 146.47 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -70.82 -44.36 66.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -54.57 -48.98 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -55.28 -42.34 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' A' ' 38' ' ' ARG . 9.9 tp -59.27 -43.07 92.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -51.92 -53.9 35.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -59.8 -40.94 90.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -51.4 -46.75 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -44.43 -43.22 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' THR . 58.5 mtp180 -44.93 -48.43 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ARG . 80.4 p -37.26 -35.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.806 0.253 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.9 m-85 -116.47 149.74 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 49' ' ' CYS . 27.9 tttt -171.06 150.65 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 14.3 t -103.98 166.64 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.48 -64.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -43.41 -61.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 p -82.24 -39.36 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.58 51.06 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -115.29 144.47 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.86 153.99 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 62' ' ' LEU . 22.9 m-85 -139.42 114.99 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.8 mp -54.77 -50.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -102.88 168.27 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.516 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 18.8 ttm180 -76.65 -46.26 26.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -53.94 -31.22 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -61.9 -30.36 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 56' ' ' PHE . 15.5 tp -91.45 -35.48 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' SER . 70.2 mt -46.11 -45.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.76 -35.27 40.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' VAL . 36.4 t60 -50.64 -35.17 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -55.85 -32.19 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -83.04 19.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 65' ' ' HIS . 51.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 34' ' ' LEU . 3.9 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.932 0.396 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -153.33 166.02 33.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 9.5 t -116.99 74.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 16.9 t70 -37.32 -34.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -46.97 -50.57 18.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.09 -48.49 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.57 33.18 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -104.4 153.07 21.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 p -125.75 149.15 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.1 m-85 -137.0 149.68 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 m -78.29 -38.84 41.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.75 120.07 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.486 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 45.0 t -51.97 -47.94 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.37 -44.58 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.2 -60.66 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 19' ' ' TYR . 19.0 tp -38.14 -36.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.3 m -62.48 -56.09 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 19.8 pttt -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.862 ' O ' HG22 ' A' ' 40' ' ' THR . 20.8 t60 -57.77 -57.85 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.84 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 36' ' ' LYS . 2.1 mmp_? -57.54 -46.11 84.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.0 t -43.81 -26.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 94.2 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.833 0.264 . . . . 0.0 112.409 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.0 m-85 -121.15 137.13 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 41' ' ' HIS . 23.5 tttp -169.12 129.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.61 146.33 27.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.6 -53.44 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.8 -67.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 p -76.79 -53.1 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.41 38.05 2.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -113.94 158.46 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.21 160.78 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -147.28 132.8 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.571 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.1 mp -73.01 -49.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 14.1 mm-40 -90.41 164.35 14.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.479 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 5.6 t -41.88 -53.3 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 32.2 m170 -36.46 -42.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 7.2 tp -84.16 -33.94 24.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 47.5 mm -48.58 -57.12 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -41.5 82.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.748 ' CE1' HG11 ' A' ' 68' ' ' VAL . 10.9 t60 -48.98 -41.88 35.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 12.9 m80 -38.97 -31.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -84.45 29.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 65' ' ' HIS . 7.3 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.93 0.395 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -150.72 156.54 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 t -109.95 76.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -39.0 -31.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.78 -55.17 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.3 -49.89 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.08 24.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -94.96 168.69 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -141.99 143.89 33.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -129.34 168.97 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.2 m -93.64 -41.5 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -111.11 131.95 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.4 p -50.29 -47.28 55.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 m -45.46 -46.55 13.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -56.9 -56.46 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.9 tp -50.88 -51.14 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -45.77 -43.45 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -68.31 -37.1 80.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ARG . 28.2 t60 -61.57 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -35.95 -36.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -53.94 -48.61 70.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' HIS . 74.1 p -40.81 -33.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.802 0.251 . . . . 0.0 112.302 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.3 m-85 -121.66 138.23 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -170.1 117.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.0 t -73.49 152.44 40.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.2 -41.38 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.29 -49.13 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -98.24 -40.57 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.11 42.68 4.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -117.55 145.51 44.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.85 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 7.2 m-85 -131.12 157.43 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.31 -51.28 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 59.3 mm-40 -95.94 161.8 13.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -69.34 -58.72 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 p -43.54 -37.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 13.6 m170 -55.32 -39.55 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 tp -89.55 -50.39 6.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.9 mt -37.44 -56.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.29 -45.39 86.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -41.43 -42.21 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -37.99 -53.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' VAL . 30.0 mtp180 -47.13 -48.06 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' ARG . 61.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.931 0.396 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -152.34 133.42 14.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.21 107.96 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.48 41.74 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.61 -42.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.2 -48.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.78 41.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -107.4 167.27 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -142.08 146.08 35.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -136.36 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -81.28 -44.17 18.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -105.28 150.31 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -70.07 -48.7 56.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -44.87 -48.4 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.36 -60.17 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.2 tp -45.81 -54.77 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -43.16 -39.72 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -73.22 -50.02 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.989 ' O ' HG22 ' A' ' 40' ' ' THR . 14.2 t60 -44.18 -57.68 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -36.25 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' HIS . 57.8 mtt180 -50.21 -49.62 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 37' ' ' HIS . 4.0 t -42.34 -27.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.133 0 CA-C-O 120.795 0.248 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 59' ' ' ARG . 32.3 m-85 -115.5 154.35 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.09 147.83 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 36.9 t -102.68 161.96 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 18.9 m-20 -105.16 -47.18 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.09 -60.35 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -83.47 -39.86 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.76 41.8 7.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -116.88 152.63 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.51 150.55 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.46 148.34 47.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.5 mt -74.49 -58.72 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 55.4 mm-40 -90.2 139.54 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 4.9 ptm180 -55.61 -46.7 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.736 ' HA ' HD12 ' A' ' 63' ' ' ILE . 40.0 t -47.21 -49.3 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.8 m170 -43.58 -37.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -85.22 -39.65 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 60' ' ' SER . 75.9 mt -44.78 -57.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.54 83.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 29.5 t60 -50.72 -35.34 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -51.12 -32.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -84.32 27.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 65' ' ' HIS . 97.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 4.2 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.989 0.423 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -162.96 121.64 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.59 84.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.92 -28.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.21 -50.31 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.69 -44.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 22.15 2.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -92.3 165.06 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -136.53 161.35 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -148.78 147.43 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.4 m -78.31 -33.46 49.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.44 116.9 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 77.1 p -45.32 -48.15 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -44.38 -57.74 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.99 -63.91 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD21 HH21 ' A' ' 38' ' ' ARG . 2.3 tp -39.1 -61.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' LEU . 37.2 m -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -65.59 -39.83 92.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 1.01 ' O ' HG22 ' A' ' 40' ' ' THR . 21.1 t60 -64.18 -47.53 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 34' ' ' LEU . 11.9 mtt180 -42.93 -29.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' HIS . 84.5 mtt180 -57.28 -42.7 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.1 t -44.14 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 66.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.809 0.254 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 45.6 m-85 -139.31 121.37 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -139.94 115.55 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.5 t -79.8 118.4 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.66 -39.94 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -42.42 -54.75 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -101.77 -45.11 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.14 31.62 3.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tttp -101.75 149.16 24.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.82 142.5 46.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.0 m-85 -139.83 149.43 43.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.71 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.55 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 11.2 tp60 -64.9 174.07 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 11.2 tpp180 -86.75 -57.94 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.3 t -51.66 -47.17 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 27.9 m170 -34.48 -34.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' SER . 23.0 tp -93.86 -38.98 10.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' SER . 40.6 mm -49.19 -36.57 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.67 -44.24 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.3 t60 -49.3 -42.6 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ARG . 11.0 m80 -38.15 -35.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 22.5 ptt180 -37.45 -46.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' ARG . 33.5 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 25.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.981 0.42 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -153.4 146.67 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.6 t -102.46 77.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -39.06 -30.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 mm-40 -49.37 -46.83 47.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -119.83 -46.52 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.25 11.25 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.77 164.59 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.1 p -143.91 133.48 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CZ ' ' HG2' ' A' ' 26' ' ' LYS . 5.7 m-85 -131.72 144.32 50.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m -67.88 -45.08 75.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -99.66 145.47 27.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 87.6 p -68.81 -53.33 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -40.56 -51.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -52.7 60.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HD2' ' A' ' 38' ' ' ARG . 25.5 tp -49.98 -39.8 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -39.86 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.5 t60 -72.57 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -36.7 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' HIS . 82.2 mtp180 -63.55 -47.57 81.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' HIS . 3.6 t -43.72 -28.94 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 59.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.78 0.241 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 57.6 m-85 -139.24 138.2 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -154.12 150.1 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.0 t -110.15 162.28 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.36 -35.36 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -60.93 -48.55 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 p -101.37 -38.97 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.21 43.61 5.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 39.6 tttp -115.93 149.89 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.35 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -148.67 138.1 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -81.9 -55.5 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -88.6 177.81 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -81.52 -58.99 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -40.72 -31.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -59.45 -45.49 91.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 6.9 tp -88.13 -40.43 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -41.01 -66.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.27 97.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.849 ' O ' HG12 ' A' ' 68' ' ' VAL . 86.5 t60 -44.94 -48.29 11.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.819 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -38.82 -37.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -61.08 -52.34 65.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 65' ' ' HIS . 3.8 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -136.37 139.59 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 8.5 t -92.03 74.13 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.4 p-10 -36.39 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' CYS . 23.7 mt-10 -48.12 -53.96 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 p -109.32 -48.47 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.26 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HE2' ' CE1' ' A' ' 37' ' ' HIS . 18.3 mtpt -99.18 172.16 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.4 p -147.65 147.81 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -141.07 161.24 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 m -81.17 -45.39 16.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -99.53 141.29 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.5 p -67.83 -46.99 70.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -44.94 -46.94 11.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -58.41 -57.71 11.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -49.21 -47.44 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -50.03 -49.47 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -63.27 -42.46 99.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.869 ' O ' HG22 ' A' ' 40' ' ' THR . 5.1 t60 -56.2 -54.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . 8.1 mtp180 -39.11 -28.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' HIS . 51.6 mtp85 -53.23 -46.67 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.7 t -44.4 -28.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 40.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.822 0.259 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.2 m-85 -123.71 132.49 53.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -162.18 140.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -89.45 158.6 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -100.12 -51.67 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -44.24 -63.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -81.44 -39.93 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.65 49.66 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -121.76 149.73 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.45 151.17 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -138.18 162.93 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.22 -57.24 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 15.4 mm100 -91.03 139.12 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 14.9 ptt-85 -53.05 -47.07 68.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -42.19 -41.89 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.8 m170 -53.52 -41.59 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 12.8 tp -83.25 -46.32 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.7 mt -43.66 -56.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.62 58.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 68' ' ' VAL . 3.9 t60 -51.4 -39.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 4.3 m80 -45.02 -23.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -95.61 27.23 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 65' ' ' HIS . 13.0 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -141.58 142.4 33.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 14.7 t -93.11 77.63 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -34.54 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' CYS . 25.9 mm-40 -47.34 -56.82 6.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -103.77 -46.26 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.76 34.38 1.55 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -110.41 153.26 25.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 p -122.81 140.28 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -121.19 148.08 44.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -74.9 -40.05 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -106.71 113.41 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -40.79 -25.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' HIS . 9.8 m -62.28 -58.48 7.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.27 -56.9 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.4 tp -45.56 -61.36 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 18.0 t -39.7 -48.54 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -65.71 -48.51 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.826 ' O ' HG22 ' A' ' 40' ' ' THR . 14.0 t60 -53.06 -54.88 28.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 35' ' ' SER . 7.5 mtt85 -37.03 -33.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' HIS . 64.6 mtp180 -48.84 -49.84 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.57 -23.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 53.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.804 0.252 . . . . 0.0 112.354 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 43.3 m-85 -139.54 134.24 31.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -164.24 146.91 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.4 t -101.65 129.49 47.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.62 -41.25 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.56 -59.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -46.98 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.64 41.03 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -115.51 143.08 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.61 145.19 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.22 144.21 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 89.7 mt -70.76 -62.81 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 13.6 mm100 -85.01 141.44 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.556 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -53.49 -50.22 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 63' ' ' ILE . 88.4 p -42.74 -50.84 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m170 -40.65 -39.1 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -78.61 -41.43 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 60' ' ' SER . 74.8 mt -45.31 -50.46 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.64 -48.5 28.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 1.003 ' O ' HG22 ' A' ' 68' ' ' VAL . 23.0 t60 -47.18 -45.94 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.462 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 8.5 m80 -38.92 -37.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -45.03 -54.65 6.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 65' ' ' HIS . 29.8 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 28.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -150.02 127.17 11.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 7.8 t -76.5 77.88 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.76 -31.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -46.92 -50.19 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.86 -45.97 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.05 31.54 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 12.9 tttp -101.54 163.02 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -131.65 143.49 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 20.4 m-85 -132.44 168.63 17.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -99.18 -38.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -110.73 112.85 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 79.5 p -39.9 -46.5 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 m -44.46 -44.16 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -60.2 -64.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.1 tp -34.2 -39.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.0 m -62.1 -56.57 17.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -58.05 -35.62 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 40' ' ' THR . 6.8 t60 -58.66 -61.13 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -30.98 -46.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -39.78 -51.28 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' HIS . 12.9 t -42.02 -39.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 54.7 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.26 . . . . 0.0 112.338 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 44.2 m-85 -151.69 138.05 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -153.99 132.91 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.7 t -94.35 102.37 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -54.49 -45.43 73.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -38.32 -62.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 65' ' ' HIS . 5.2 p -90.78 -52.73 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' CYS . . . 114.83 30.49 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -108.99 148.08 31.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.16 146.7 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.76 100.75 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -37.33 -47.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 8.7 tt0 -88.15 170.66 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 17.2 ttt180 -88.65 -52.89 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ILE . 82.8 p -49.2 -53.18 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 20.0 m170 -38.24 -35.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 21.5 tp -80.63 -42.31 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' SER . 50.1 mm -46.13 -44.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.03 -52.52 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' VAL . 4.0 t60 -47.48 -44.7 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.513 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 5.7 m80 -39.15 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' HIS . 11.5 mtp180 -86.38 30.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' HIS . 9.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -139.28 146.16 40.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -164.46 171.56 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.53 140.86 3.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -52.85 122.04 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -127.17 -54.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.25 -153.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 43.75 41.44 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.7 p -94.44 41.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -97.67 155.55 16.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -103.7 -41.84 5.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -136.54 120.87 18.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.4 123.31 45.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 -126.39 72.75 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -84.44 150.09 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -46.64 163.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -45.55 142.78 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -50.92 -45.36 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 9.0 m-85 -127.75 93.9 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.965 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -143.11 145.62 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -93.33 142.9 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -93.02 -24.47 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.5 -59.63 5.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.95 -49.67 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.7 40.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -110.64 161.5 15.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 89.4 p -125.01 161.88 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 27' ' ' SER . 27.3 m-85 -145.96 155.02 42.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -78.24 -36.91 46.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -108.68 144.38 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 97.1 p -73.98 -34.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -58.15 -41.63 84.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.19 -46.64 73.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD11 ' HD2' ' A' ' 38' ' ' ARG . 6.5 tp -58.54 -41.61 85.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.4 t -55.61 -43.63 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -70.44 -24.17 62.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.952 ' O ' HG22 ' A' ' 40' ' ' THR . 11.0 t60 -71.07 -54.35 11.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -42.29 -28.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.2 mtp85 -56.38 -44.27 80.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 37' ' ' HIS . 10.2 t -50.67 -17.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -107.43 -34.93 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -172.76 143.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.94 70.64 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.6 pt-20 -131.17 -175.02 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HG13 ' A' ' 57' ' ' ILE . 2.7 mppt? -34.64 136.85 0.37 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.5 Cg_endo -69.71 -0.27 6.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.3 m-85 -131.68 143.42 50.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -162.8 120.17 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.2 t -69.5 161.73 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.63 -46.06 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' HIS . 69.9 mm-40 -53.05 -60.26 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.1 p -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.15 47.11 5.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -118.48 153.82 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.13 143.64 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.438 ' C ' ' HG2' ' A' ' 45' ' ' LYS . 13.1 m-85 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.465 HG13 ' CG ' ' A' ' 45' ' ' LYS . 5.3 mp -88.06 -56.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.543 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 45.3 mm-40 -83.37 160.4 21.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' CG ' HD11 ' A' ' 63' ' ' ILE . 9.9 tpp180 -71.55 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 63' ' ' ILE . 77.3 p -41.01 -39.65 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 18.0 m170 -48.8 -44.51 39.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 15.8 tp -84.87 -44.61 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 ' CG ' ' A' ' 59' ' ' ARG . 81.8 mt -44.74 -48.83 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.88 -41.09 19.67 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' HIS . 14.2 t60 -51.72 -47.22 64.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.7 m80 -36.82 -33.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' HIS . 25.7 mmm180 -43.98 -55.25 4.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' CG ' ' A' ' 69' ' ' HIS . 4.6 m -37.68 -34.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 51' ' ' GLU . 51.8 m-70 -101.66 133.86 45.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.6 m -58.4 138.81 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -122.81 104.74 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -158.35 127.28 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.72 149.16 49.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 130.77 19.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.3 p -100.92 161.14 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -152.36 146.84 25.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.51 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -130.81 -50.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 m 37.5 41.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.45 46.79 1.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -38.81 106.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m -128.54 161.91 28.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.86 110.67 3.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 8' ' ' ARG . 7.4 tmm_? -80.65 131.7 35.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -131.61 139.88 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -141.98 143.82 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 6.9 p-90 -68.91 154.6 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 6.0 tm0? 51.8 42.32 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -126.09 93.14 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -41.31 146.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -65.31 -15.95 63.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.4 ptp180 36.01 50.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -100.48 154.94 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HB3' ' CD1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -51.69 -60.91 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 18' ' ' ARG . 18.6 m-85 -124.3 163.5 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -171.95 161.38 5.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 22' ' ' ASP . 8.9 t -113.58 76.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.0 p-10 -37.2 -34.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.07 -54.61 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 p -109.11 -48.12 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.15 33.99 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -108.49 149.54 28.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.582 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 36.8 t -120.96 173.42 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 27' ' ' SER . 17.5 m-85 -158.97 149.23 19.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 m -71.97 -45.12 62.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.2 141.02 37.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.2 p -57.49 -46.71 83.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -46.18 -55.96 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -44.34 -60.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.76 -45.81 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 t -52.22 -50.25 62.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -61.7 -43.45 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ARG . 9.5 t60 -49.55 -54.77 16.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -37.41 -44.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -42.75 -47.91 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.8 p -42.46 -43.56 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -52.62 -59.79 4.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.5 p -53.69 -47.8 70.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.56 -103.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 10.9 tp10 -48.77 165.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.448 ' H ' ' CD ' ' A' ' 45' ' ' LYS . 11.2 mptt -34.42 133.18 0.41 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 54.0 Cg_endo -69.73 0.04 6.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 64.4 m-85 -133.69 144.73 49.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -165.72 147.31 7.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -105.69 156.16 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -100.21 -45.02 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.97 -59.94 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -90.64 -47.99 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.82 48.21 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 55' ' ' ALA . 52.5 tttt -122.8 160.63 25.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . . . -113.58 151.89 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -138.7 132.97 31.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.2 mp -70.39 -55.03 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.533 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . 3.4 tp-100 -81.57 145.87 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -63.36 -50.56 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 m -51.71 -49.66 62.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 58' ' ' GLN . 34.6 m170 -42.33 -29.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.4 tp -87.05 -49.31 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.439 HD11 ' HD2' ' A' ' 59' ' ' ARG . 58.2 mt -46.05 -45.58 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.57 -53.86 9.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' ARG . 9.4 t60 -45.5 -50.38 12.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.481 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 6.3 m170 -34.36 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' HIS . 16.8 mtt180 -44.14 -53.04 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG23 ' CG ' ' A' ' 69' ' ' HIS . 18.5 m -36.85 -37.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.532 ' CG ' HG23 ' A' ' 68' ' ' VAL . 31.1 m-70 -100.38 170.26 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -92.02 -31.1 15.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.82 130.73 1.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -122.5 171.66 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.54 -170.2 16.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.06 4.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 t -69.68 -43.7 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 m -85.85 141.85 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -92.96 115.34 28.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.873 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -124.83 117.2 23.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.96 68.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 m -48.9 -62.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 68.63 42.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.38 115.67 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -92.4 41.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -133.32 126.46 31.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.7 pm0 -75.81 132.47 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -92.09 133.12 36.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.71 40.91 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -75.05 -40.13 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -48.24 -45.48 34.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.15 134.33 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -121.32 136.07 55.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ARG . 29.2 ttt180 -85.78 171.47 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ARG . 3.8 tpm_? -34.45 -59.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 84.6 m-85 -127.76 99.85 5.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -114.4 155.22 26.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 7.3 t -102.66 78.94 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -37.98 -32.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' CYS . 43.8 mm-40 -49.09 -54.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 p -110.05 -47.51 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.16 32.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -105.02 152.96 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.1 p -126.2 139.55 53.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -123.49 144.6 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -62.13 -42.42 99.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -110.97 134.46 52.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.458 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 76.3 p -58.06 -55.48 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m -37.88 -45.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.68 -45.47 94.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 42.8 tp -56.14 -42.59 77.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.1 t -50.56 -50.38 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -63.48 -40.31 96.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -53.4 -53.38 52.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -42.34 -37.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 mmm-85 -41.26 -48.01 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 p -38.11 -53.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -66.61 -63.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -39.11 97.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.12 -40.98 1.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 45' ' ' LYS . 57.4 mt-10 -118.77 -177.72 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' GLU . 27.4 mtmt -32.56 95.93 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . 53.7 Cg_endo -69.73 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -104.33 119.11 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -152.53 134.12 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -81.25 160.46 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.28 -45.2 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -53.35 -59.14 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -87.17 -45.26 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.93 6.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -92.91 165.31 12.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.12 160.61 21.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -153.27 151.16 29.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.6 mt -92.49 -51.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.466 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 20.3 mm-40 -91.79 151.56 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.06 -50.08 75.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.7 p -49.42 -48.86 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 21.3 m170 -42.64 -30.55 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' ILE . 39.0 tp -93.02 -51.78 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' LEU . 94.9 mt -37.76 -40.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 65' ' ' HIS . . . -73.51 -64.12 2.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.532 ' O ' HG23 ' A' ' 68' ' ' VAL . 39.0 t60 -34.72 -42.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' HIS . 8.9 m80 -34.3 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' HIS . 21.2 ptt180 -36.4 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 65' ' ' HIS . 95.5 t -42.12 -52.72 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.38 139.01 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.7 t -101.91 39.54 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.69 89.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.0 p -76.8 -52.09 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.395 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -47.99 -64.21 3.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.62 23.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.5 p -78.14 133.92 37.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.4 p -94.69 163.53 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.51 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -154.49 160.1 41.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -161.44 173.79 14.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.27 -177.32 40.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -169.98 139.65 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 m -74.55 -61.64 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.79 -164.61 16.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -115.47 158.38 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 p -104.79 129.87 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.05 -56.78 8.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -59.52 141.87 53.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' GLN . 7.7 pt20 -131.17 39.1 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 14.1 pt20 36.82 45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -52.46 -42.19 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 16' ' ' ARG . 44.1 tt0 -59.44 87.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 15' ' ' GLU . 8.2 mmm180 -148.26 124.24 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 1.3 mpt_? -135.39 174.65 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 26.2 tpt85 -45.56 -58.51 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 31' ' ' SER . 67.7 m-85 -106.93 115.28 29.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -137.89 129.17 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.52 138.68 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.22 -32.69 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.53 -53.7 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.2 p -110.22 -48.24 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.36 36.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -100.82 163.05 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -128.71 148.04 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -135.31 162.12 33.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -84.78 -43.09 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.68 147.67 31.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.558 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 8.6 t -67.22 -51.97 46.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.7 t -44.7 -41.52 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.36 -47.67 81.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.63 -44.35 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.7 t -50.79 -46.06 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -65.89 -44.75 84.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' THR . 10.8 t60 -48.06 -53.27 16.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -39.28 -44.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' THR . 8.1 mmm180 -37.37 -48.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 37' ' ' HIS . 63.4 p -35.95 -47.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.45 90.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 39' ' ' ARG . 38.5 p -111.82 -55.27 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.18 -99.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.425 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -60.5 178.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' GLU . 17.8 mtmt 35.06 54.98 2.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.73 1.13 4.69 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 82.3 m-85 -120.29 134.85 55.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -148.07 144.65 28.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -105.25 -38.76 6.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -63.74 -58.49 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 18.2 p -87.74 -45.81 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 92.73 47.22 3.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -117.43 151.55 36.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 45' ' ' LYS . . . -102.24 148.52 25.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' HB3' ' CB ' ' A' ' 61' ' ' HIS . 38.2 m-85 -132.38 175.79 8.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.421 ' HB ' ' CE1' ' A' ' 61' ' ' HIS . 38.8 mm -93.41 -71.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 77.9 mm-40 -89.08 155.95 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -55.33 -46.8 76.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 63' ' ' ILE . 41.3 m -45.09 -41.51 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 56' ' ' PHE . 11.9 m170 -49.24 -43.44 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -80.02 -49.7 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 60' ' ' SER . 76.4 mt -39.76 -61.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.95 -44.53 61.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 62' ' ' LEU . 8.8 t60 -44.59 -47.73 10.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.0 m80 -40.26 -38.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -54.66 -42.89 71.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.427 HG13 ' ND1' ' A' ' 69' ' ' HIS . 2.2 p -39.26 -31.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.427 ' ND1' HG13 ' A' ' 68' ' ' VAL . 35.9 m-70 -101.71 -70.44 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.8 m -128.36 -61.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 140.45 -100.78 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -118.76 85.11 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 74' ' ' PRO . . . 55.43 -147.97 26.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 73' ' ' GLY . 53.8 Cg_endo -69.84 86.65 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -120.11 146.69 45.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.1 p -68.72 125.12 25.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.454 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -146.89 162.92 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 p -161.01 165.16 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 146.27 7.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -157.71 142.26 16.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.909 0.385 . . . . 0.0 110.85 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -154.81 130.67 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.98 55.62 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.43 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -150.41 155.18 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -65.7 132.41 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.02 151.7 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -51.34 153.39 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -134.49 -59.64 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -134.8 130.79 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -81.96 -43.8 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -161.16 136.4 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.57 149.06 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ARG . 16.9 mmt180 -148.24 147.15 29.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.7 ttm180 -34.54 -59.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' HB3' HD22 ' A' ' 34' ' ' LEU . 14.2 m-85 -134.48 124.78 26.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -123.22 162.41 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ASP . 12.8 t -110.6 80.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 22.8 t70 -36.58 -36.5 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.93 -54.61 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.57 -43.23 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.22 34.44 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -108.02 149.09 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 p -117.93 145.58 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' CZ ' ' CG ' ' A' ' 37' ' ' HIS . 17.0 m-85 -126.13 160.8 29.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -82.61 -37.67 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -109.0 122.31 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -51.5 -52.36 47.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -44.46 -46.24 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -61.02 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD11 ' HE ' ' A' ' 38' ' ' ARG . 11.1 tp -38.09 -37.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -56.57 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -58.15 -34.0 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.955 ' O ' HG22 ' A' ' 40' ' ' THR . 9.4 t60 -60.18 -50.64 72.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HE ' HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -43.92 -29.12 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -52.82 -41.0 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.8 t -51.58 -22.8 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -80.3 85.18 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -117.18 139.5 50.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.95 178.44 15.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.48 36.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HE2' ' N ' ' A' ' 56' ' ' PHE . 36.8 mtpt -123.27 76.87 52.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.77 -3.53 12.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.3 m-85 -112.59 140.63 47.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -172.26 149.9 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 23.9 t -101.39 160.78 14.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 45.7 t0 -100.92 -55.43 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' NE2' ' A' ' 69' ' ' HIS . 74.3 mm-40 -41.49 -64.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.48 -47.67 12.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.59 64.27 1.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 35.9 tttp -136.19 138.67 42.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.32 155.92 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.671 ' CE1' HD13 ' A' ' 62' ' ' LEU . 7.8 m-85 -144.41 143.85 31.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.4 mt -76.49 -53.54 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -100.89 137.43 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HG3' HD11 ' A' ' 63' ' ' ILE . 19.8 tpt180 -51.45 -57.81 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 14.8 m -34.52 -49.39 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -45.87 -47.72 16.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.671 HD13 ' CE1' ' A' ' 56' ' ' PHE . 30.4 tp -75.84 -39.71 56.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 59' ' ' ARG . 43.9 mm -37.61 -59.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.47 41.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.2 t60 -38.93 -46.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 20.1 m80 -34.34 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' HIS . 23.9 mtp180 -35.84 -51.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG23 ' N ' ' A' ' 69' ' ' HIS . 31.9 m -35.4 -48.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.575 ' N ' HG23 ' A' ' 68' ' ' VAL . 44.6 m-70 -92.21 143.38 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -68.79 -28.54 66.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.01 78.36 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.1 m -151.44 151.98 32.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.03 -98.34 2.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.33 66.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 t -61.64 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.7 m 46.22 44.3 12.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.486 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -138.85 175.32 9.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 m -73.18 164.74 26.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.32 -151.1 5.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -97.74 135.27 39.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -83.48 42.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.03 -156.21 33.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.435 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -153.39 121.89 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -133.74 168.82 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.22 95.91 9.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -169.12 165.24 11.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 53.9 37.25 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -81.07 117.78 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -91.51 91.22 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.34 156.01 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -122.6 121.39 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -122.46 160.27 25.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -39.67 -54.12 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 14.6 m-85 -133.05 137.19 46.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -142.88 120.6 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' GLU . 15.6 t -69.58 74.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 8.3 p-10 -34.59 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' CYS . 47.2 mt-10 -49.04 -52.18 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.2 p -107.46 -50.09 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.23 26.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -103.19 152.88 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.3 p -120.64 141.03 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.46 154.76 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -79.01 -41.26 29.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -109.1 127.52 54.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 19' ' ' TYR . 75.5 p -48.7 -39.04 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.6 m -51.4 -59.59 4.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -58.71 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 11.1 tp -44.67 -58.4 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.427 ' HA ' ' NH1' ' A' ' 38' ' ' ARG . 47.1 t -43.88 -53.13 6.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -61.49 -36.67 81.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.837 ' O ' HG22 ' A' ' 40' ' ' THR . 6.3 t60 -65.03 -58.2 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' HIS . 8.0 mtt85 -34.93 -38.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' HIS . 28.9 mtp180 -52.87 -48.86 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.837 HG22 ' O ' ' A' ' 37' ' ' HIS . 15.3 t -37.3 -33.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' THR . 80.3 m-70 -62.28 -55.45 28.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' HIS . 0.8 OUTLIER 37.36 38.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.2 162.23 28.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -99.95 38.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 53.9 mttt -101.12 106.31 44.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 54.3 Cg_endo -69.78 0.44 5.65 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 39.2 m-85 -124.14 142.2 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.29 108.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.63 144.05 51.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.92 -40.96 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -49.49 -66.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.8 p -80.8 -46.99 14.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.05 33.86 5.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 55' ' ' ALA . 1.6 tmtt? -105.82 150.69 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.454 ' N ' ' HD3' ' A' ' 54' ' ' LYS . . . -112.1 149.75 31.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.038 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -135.62 152.58 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.0 mt -85.64 -56.61 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 3.0 mp0 -78.46 173.87 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.694 ' CD ' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -83.94 -53.19 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.9 p -55.81 -19.66 12.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 35.1 m170 -63.38 -26.85 68.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 26.2 tp -98.62 -39.92 8.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.694 HD11 ' CD ' ' A' ' 59' ' ' ARG . 46.3 mt -49.54 -42.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.79 7.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' HIS . 7.6 t60 -50.33 -44.19 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.549 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 10.1 m80 -36.33 -34.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 8.6 ptm180 -40.52 -47.05 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG23 ' CG ' ' A' ' 69' ' ' HIS . 19.0 m -41.63 -41.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 51' ' ' GLU . 51.5 m-70 -98.01 173.47 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 p -132.2 84.14 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.58 -157.73 15.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -173.93 161.05 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.32 144.79 3.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -14.87 36.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 p -52.24 142.45 16.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.5 t -125.3 112.56 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.489 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -158.03 156.46 31.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -144.34 136.99 26.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 72.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -66.76 -57.37 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 p -44.27 143.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 119.73 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 6.1 tpm_? -130.66 141.25 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -130.89 111.88 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -64.9 119.12 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -63.33 145.9 54.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.36 40.95 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -65.16 134.6 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -87.36 89.95 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -50.7 119.86 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -63.61 -7.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 14.8 ptt180 -111.57 141.84 44.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -73.96 -59.52 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 31' ' ' SER . 54.1 m-85 -124.02 153.03 41.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 17' ' ' ARG . 39.8 tttp -157.4 136.45 11.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -84.63 79.45 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.34 -25.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.59 -58.55 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 p -99.95 -49.08 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.66 34.26 0.76 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -107.72 157.4 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.4 p -126.73 150.9 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.52 146.86 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 m -72.76 -40.08 66.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.51 134.67 50.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 37.4 p -57.4 -47.14 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -44.52 -62.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -38.64 -58.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.609 HD21 ' NH2' ' A' ' 38' ' ' ARG . 16.7 tp -46.81 -46.16 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 t -45.49 -45.57 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -37.49 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.956 ' O ' HG22 ' A' ' 40' ' ' THR . 47.2 t60 -58.1 -45.98 86.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.609 ' NH2' HD21 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -46.72 -28.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -54.38 -42.32 70.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.956 HG22 ' O ' ' A' ' 37' ' ' HIS . 13.5 t -56.5 -23.34 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -95.98 99.93 11.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 p -114.35 163.76 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.99 145.78 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.7 98.86 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -107.46 141.45 23.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.73 1.97 3.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 53.6 m-85 -139.74 138.5 35.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -160.08 144.15 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 34.0 t -95.01 143.84 26.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.47 -44.72 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -47.27 -59.81 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.45 -46.66 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.22 32.5 5.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HD2' ' CE2' ' A' ' 56' ' ' PHE . 15.7 ttmt -111.37 151.62 28.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.7 159.9 15.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 4.1 m-85 -148.13 133.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -61.88 -61.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.2 mt-30 -87.01 146.28 26.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 47' ' ' TYR . 6.3 ptm180 -58.05 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.2 t -46.61 -48.57 19.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.3 m170 -44.16 -33.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 5.9 tp -91.74 -43.3 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.7 mt -48.94 -41.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.31 -38.77 10.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.931 ' O ' HG22 ' A' ' 68' ' ' VAL . 1.8 t60 -46.46 -36.91 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -40.71 -27.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' HIS . 18.2 ptp180 -56.47 -47.08 79.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 65' ' ' HIS . 27.4 m -43.44 -30.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -89.71 -53.34 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -104.73 103.81 13.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.58 -51.66 0.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' GLY . 34.2 t -84.49 162.56 19.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -36.0 114.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 73' ' ' GLY . 53.8 Cg_endo -69.75 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -94.21 43.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.8 m -65.62 -53.63 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.468 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -148.57 170.85 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -168.99 142.36 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.75 -176.34 20.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -142.64 148.65 37.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -152.24 154.05 34.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.97 -155.18 7.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -116.24 119.0 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -72.36 114.59 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -98.52 136.4 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' H ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -125.01 -43.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' N ' HE21 ' A' ' 12' ' ' GLN . 0.0 OUTLIER -35.95 142.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.9 80.22 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -54.85 106.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -52.36 141.22 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -144.08 142.85 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.43 -175.65 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -61.97 -50.65 71.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 2.9 m-85 -92.25 159.94 15.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -166.69 133.37 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.2 t -89.22 75.82 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -38.75 -28.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' CYS . 9.3 mp0 -50.89 -48.34 60.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.5 -50.38 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.21 15.84 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -85.28 171.52 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.605 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 58.5 p -147.17 146.3 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -146.55 126.08 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -57.98 -33.78 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -97.67 128.7 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 96.9 p -64.59 -52.4 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -46.1 -50.2 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.99 -55.94 19.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 19' ' ' TYR . 6.0 tp -53.44 -43.59 68.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.7 t -52.26 -43.73 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -71.67 -25.26 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.884 ' O ' HG22 ' A' ' 40' ' ' THR . 7.2 t60 -69.61 -52.65 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.96 -26.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 3.2 mmm180 -57.37 -47.84 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.884 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.95 -25.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -69.84 89.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.6 p -135.62 109.87 8.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.0 -139.9 15.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -110.41 15.91 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 2.6 mppt? -116.38 73.0 5.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.701 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 61.5 m-85 -118.5 136.35 53.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -157.66 143.75 17.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -92.05 158.86 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -107.96 -26.93 10.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.79 -40.17 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 53' ' ' GLY . 15.4 p -111.64 -46.27 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 52' ' ' CYS . . . 95.07 56.67 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 5.0 ttpm? -125.97 131.01 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 45' ' ' LYS . . . -84.07 136.69 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 82.2 m-85 -123.48 109.94 14.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -49.76 -50.72 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 31.2 mm-40 -91.49 175.67 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -86.86 -52.87 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.8 m -49.67 -48.2 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 24.3 m170 -44.99 -29.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 tp -87.14 -44.11 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -46.2 -55.93 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.3 -40.92 94.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 68' ' ' VAL . 27.5 t60 -48.41 -41.36 28.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -44.4 -26.96 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -51.53 -48.48 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 69' ' ' HIS . 15.4 m -50.16 -21.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' HG23 ' A' ' 68' ' ' VAL . 23.5 m-70 -120.18 107.18 12.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.9 p -58.49 164.44 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.19 149.8 17.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -130.97 112.77 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.4 -65.69 2.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.4 p -102.75 137.5 40.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.2 m -153.4 152.46 31.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.458 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -163.88 115.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.82 131.32 33.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.82 -166.45 34.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -144.54 138.41 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -99.24 135.23 40.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.39 134.39 6.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -54.85 155.85 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -121.97 160.7 24.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -149.84 139.51 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -136.19 174.96 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.98 127.81 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -98.34 161.49 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -49.63 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -70.39 144.43 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -121.68 110.49 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -149.11 158.15 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -69.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 84.3 m-85 -121.7 141.94 50.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 21' ' ' CYS . 42.5 tttm -146.24 161.96 39.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 7.2 t -115.16 77.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -39.54 -30.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -50.18 -54.09 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 p -110.58 -50.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.77 31.05 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.538 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -105.61 153.0 22.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 27.0 p -125.37 164.25 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' SER . 21.7 m-85 -149.98 177.32 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.4 m -100.22 -41.57 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -103.31 139.02 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.3 p -64.05 -46.9 82.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -51.26 -47.05 62.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -56.88 -54.4 46.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' TYR . 5.7 tp -53.31 -42.36 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.2 t -51.61 -49.28 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -65.07 -28.41 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 40' ' ' THR . 7.3 t60 -68.64 -40.62 80.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -62.67 -36.31 82.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' HG23 ' A' ' 42' ' ' THR . 50.0 mtm180 -56.69 -41.42 77.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 37' ' ' HIS . 1.9 t -50.33 -19.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -72.32 -34.29 67.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 39' ' ' ARG . 66.3 p -42.55 137.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.39 143.52 4.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -89.16 101.7 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 142.05 23.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo -69.81 -3.28 11.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.8 m-85 -141.01 129.73 22.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -148.24 136.33 21.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.2 163.62 16.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -109.55 -40.93 4.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 58.2 mt-10 -58.3 -52.9 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 19.9 p -99.36 -40.25 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.49 35.35 6.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 16.4 tptm -89.74 151.39 21.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.13 139.99 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CZ ' ' HG2' ' A' ' 54' ' ' LYS . 4.2 m-85 -141.14 156.05 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.33 -53.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 40.7 tp60 -83.02 151.73 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -63.62 -45.37 90.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -54.98 -42.05 71.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CD2' ' HB3' ' A' ' 58' ' ' GLN . 36.4 m170 -49.02 -25.95 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.39 -39.59 9.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.82 -40.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.4 -43.94 23.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.41 ' HA ' HG23 ' A' ' 68' ' ' VAL . 32.0 t60 -48.53 -26.88 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -53.74 -33.62 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -87.66 27.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 65' ' ' HIS . 87.0 t -104.53 -55.45 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 52' ' ' CYS . 86.9 m-70 -52.24 -60.04 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 70' ' ' THR . 18.4 m 66.88 33.42 5.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.04 -84.17 0.37 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 p -173.41 155.31 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -172.18 74.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 118.76 5.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t -82.45 -54.75 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.6 m -156.73 150.1 24.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.466 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t 66.0 42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -48.55 153.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.28 177.59 14.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -154.46 155.93 35.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -110.24 166.8 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 72.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -65.38 159.65 23.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -130.41 149.46 52.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -83.96 148.12 27.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -153.88 173.73 15.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -54.74 -48.78 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 40.32 45.4 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -107.02 -52.05 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -55.9 148.93 15.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -144.79 140.0 28.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -110.14 176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -123.88 -54.78 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 7.9 m-85 -95.0 150.51 20.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -148.94 134.78 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.1 t -84.29 73.07 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.5 m-20 -35.9 -32.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 21' ' ' CYS . 5.3 mp0 -49.82 -51.67 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' O ' ' NE ' ' A' ' 59' ' ' ARG . 11.8 p -110.06 -50.0 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.35 22.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -92.75 167.11 12.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.2 p -142.36 137.55 30.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -123.94 165.05 18.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -88.86 -35.63 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -113.59 121.82 45.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -49.14 -48.93 44.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 t -42.36 -52.77 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.55 -50.48 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 19' ' ' TYR . 13.7 tp -50.45 -39.96 49.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -57.03 -41.67 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -69.77 -33.48 72.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 40' ' ' THR . 16.0 t60 -61.66 -54.91 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -40.6 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 37' ' ' HIS . 53.8 mtp180 -63.91 -45.09 90.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.6 t -47.0 -24.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 46' ' ' PRO . 73.1 m-70 -75.51 -58.53 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -62.34 84.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.79 -101.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -60.64 -177.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.99 144.37 1.09 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.79 -5.15 15.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.342 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.7 m-85 -134.19 138.56 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -170.88 118.28 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 t -69.39 163.79 24.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.16 -41.65 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.18 -49.72 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.69 34.68 4.01 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -107.85 151.53 25.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' CD1' ' A' ' 56' ' ' PHE . . . -100.2 167.76 10.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 55' ' ' ALA . 64.7 m-85 -156.15 135.8 12.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.07 -45.76 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -101.23 159.78 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 24' ' ' CYS . 47.6 ttt180 -74.45 -56.62 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.495 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 72.8 m -38.95 -48.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -48.07 -42.98 30.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD21 ' HE1' ' A' ' 66' ' ' HIS . 8.8 tp -77.47 -34.98 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 50.2 mm -44.62 -60.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.11 95.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.696 ' O ' HG12 ' A' ' 68' ' ' VAL . 25.3 t60 -52.3 -40.02 61.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' HE1' HD21 ' A' ' 62' ' ' LEU . 4.0 m80 -45.84 -27.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 67' ' ' ARG . 7.7 mtp-105 -89.17 29.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 65' ' ' HIS . 12.4 p -103.97 -20.21 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.47 ' CD2' HG13 ' A' ' 68' ' ' VAL . 61.7 m-70 -105.61 -59.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -143.86 130.76 20.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.64 77.65 0.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -108.56 -46.49 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.75 155.51 16.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 3.1 2.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t 74.37 46.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.4 p 39.05 43.65 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.482 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -111.96 -47.65 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 62.97 41.71 8.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.21 69.55 1.37 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -97.76 -51.96 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 m -103.24 103.79 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.02 -139.76 4.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.58 151.43 38.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -166.54 165.72 16.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.97 160.35 21.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.53 -46.74 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.28 155.4 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -122.6 -40.84 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -119.82 127.62 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -82.07 -75.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -139.72 118.08 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' CZ ' ' HA ' ' A' ' 28' ' ' PHE . 5.1 mtp180 -131.39 176.59 8.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -132.42 -60.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.65 137.79 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -143.96 129.97 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -75.28 145.17 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -96.37 -29.31 14.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.43 -44.5 76.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.1 p -119.14 -52.94 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 17.9 1.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -72.07 163.49 27.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -134.6 145.39 48.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 17' ' ' ARG . 5.4 m-85 -142.87 167.06 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -94.95 -44.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -99.93 151.32 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.9 p -73.43 -48.12 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -47.21 -41.91 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -60.82 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.1 tp -44.55 -53.7 6.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.2 t -45.27 -39.19 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -73.0 -39.2 66.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' ARG . 8.5 t60 -54.78 -58.79 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -35.45 -43.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' THR . 49.2 mtm180 -39.04 -52.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' HIS . 68.8 p -37.93 -55.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' THR . 65.6 m-70 -34.52 -49.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.2 t -99.1 142.87 30.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.29 -106.4 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -134.13 -52.58 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' CG ' HG13 ' A' ' 57' ' ' ILE . 1.3 mppt? -103.48 144.02 27.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.82 -5.32 15.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 51.9 m-85 -129.09 139.34 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 55' ' ' ALA . 9.4 ttmt -158.79 121.39 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.71 120.57 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.63 -38.18 65.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -44.41 -50.7 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.8 p -105.26 -47.4 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.38 34.14 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -107.59 147.92 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . . . -108.22 147.58 31.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -130.91 140.46 50.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.465 HG13 ' CG ' ' A' ' 45' ' ' LYS . 5.3 mp -82.24 -48.36 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 35.0 mt-30 -92.41 173.7 7.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tpp180 -78.4 -54.41 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 p -55.8 -25.7 42.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 14.8 m170 -59.23 -28.46 66.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 14.9 tp -100.94 -43.78 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.0 mt -45.18 -30.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.46 -56.24 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.498 ' O ' HG23 ' A' ' 68' ' ' VAL . 24.5 t60 -43.59 -44.48 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' HIS . 5.6 m80 -34.65 -60.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -40.79 -42.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 65' ' ' HIS . 89.1 t -39.29 -51.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -77.41 160.55 28.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLY . 86.0 m -106.81 91.42 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' THR . . . -35.43 -71.22 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t 67.44 42.94 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.07 -65.64 1.79 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -11.22 30.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -92.25 144.24 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.7 m -56.17 152.07 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -165.8 173.45 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -137.56 175.29 9.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.44 128.44 6.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -105.26 148.23 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 m -69.35 176.74 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.55 160.56 30.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -140.23 165.24 27.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 t -147.94 116.1 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -127.1 147.17 50.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -65.92 171.73 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -83.92 -59.79 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -144.84 143.49 30.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -102.54 140.56 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -76.14 126.27 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -84.48 136.95 33.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 mmt-85 -146.52 169.15 19.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -59.98 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' HB3' HD22 ' A' ' 34' ' ' LEU . 28.6 m-85 -109.15 138.11 46.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -143.71 128.13 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.4 t -68.2 151.11 47.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 -24.5 13.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.69 -50.8 72.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 p -110.18 -48.27 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.25 31.64 1.51 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 40.0 tttt -94.59 163.73 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.4 p -129.04 147.1 50.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 51.7 m-85 -136.21 168.19 19.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.7 m -89.91 -42.9 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -102.19 146.47 27.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.4 p -70.82 -44.36 66.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -54.57 -48.98 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -55.28 -42.34 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' A' ' 38' ' ' ARG . 9.9 tp -59.27 -43.07 92.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.4 t -51.92 -53.9 35.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -59.8 -40.94 90.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -51.4 -46.75 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -44.43 -43.22 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.586 ' O ' HG23 ' A' ' 42' ' ' THR . 58.5 mtp180 -44.93 -48.43 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ARG . 80.4 p -37.26 -35.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -77.83 61.74 2.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 39' ' ' ARG . 23.1 p -134.75 81.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -177.64 -178.16 47.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' LYS . 39.6 mt-10 -85.14 -41.46 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -35.47 98.17 0.14 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.78 -8.59 24.0 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.581 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 26.9 m-85 -116.47 149.74 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 49' ' ' CYS . 27.9 tttt -171.06 150.65 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 14.3 t -103.98 166.64 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.48 -64.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CD ' ' CD2' ' A' ' 69' ' ' HIS . 4.5 pt-20 -43.41 -61.07 1.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.1 p -82.24 -39.36 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.58 51.06 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -115.29 144.47 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.86 153.99 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.592 ' CD1' HD13 ' A' ' 62' ' ' LEU . 22.9 m-85 -139.42 114.99 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.781 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.8 mp -54.77 -50.65 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -102.88 168.27 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.516 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 18.8 ttm180 -76.65 -46.26 26.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -53.94 -31.22 49.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -61.9 -30.36 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 56' ' ' PHE . 15.5 tp -91.45 -35.48 14.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' SER . 70.2 mt -46.11 -45.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.76 -35.27 40.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' VAL . 36.4 t60 -50.64 -35.17 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -55.85 -32.19 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -83.04 19.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 65' ' ' HIS . 51.1 t -103.59 -40.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 51' ' ' GLU . 90.3 m-70 -82.65 126.25 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 p -113.32 111.96 22.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 148.2 -134.72 5.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.6 p -168.45 154.03 6.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.6 124.66 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 132.57 23.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 t -77.0 -45.12 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.8 t -153.94 113.17 3.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.472 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -132.23 145.33 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -94.72 -58.92 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.38 171.69 44.16 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 p -164.8 130.99 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -123.69 176.7 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.52 176.07 17.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -165.12 136.22 4.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -134.34 132.39 39.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -123.05 109.78 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -119.09 153.27 35.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 72.55 42.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -126.43 86.5 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ttp-105 -71.22 162.72 28.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -109.72 111.34 22.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -134.64 88.02 2.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -103.73 -176.64 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -96.76 -47.62 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 34' ' ' LEU . 3.9 m-85 -109.23 152.94 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -153.33 166.02 33.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' ASP . 9.5 t -116.99 74.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 16.9 t70 -37.32 -34.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -46.97 -50.57 18.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.09 -48.49 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.57 33.18 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -104.4 153.07 21.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 p -125.75 149.15 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.1 m-85 -137.0 149.68 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 m -78.29 -38.84 41.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.75 120.07 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.486 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 45.0 t -51.97 -47.94 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.37 -44.58 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.2 -60.66 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 19' ' ' TYR . 19.0 tp -38.14 -36.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.3 m -62.48 -56.09 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 19.8 pttt -59.21 -35.21 73.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.862 ' O ' HG22 ' A' ' 40' ' ' THR . 20.8 t60 -57.77 -57.85 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -40.84 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' THR . 2.1 mmp_? -57.54 -46.11 84.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.0 t -43.81 -26.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 94.2 m-70 -83.69 83.69 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 39' ' ' ARG . 33.0 p -124.97 -20.48 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.3 58.7 0.69 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -111.71 -52.3 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' ' HB1' ' A' ' 55' ' ' ALA . 18.5 mtmt -102.17 122.66 46.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.72 -6.22 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 0.0 112.409 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.0 m-85 -121.15 137.13 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 41' ' ' HIS . 23.5 tttp -169.12 129.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.61 146.33 27.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -89.6 -53.44 4.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.8 -67.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 p -76.79 -53.1 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.41 38.05 2.51 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.457 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -113.94 158.46 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB1' ' HD2' ' A' ' 45' ' ' LYS . . . -112.21 160.78 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -147.28 132.8 18.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.571 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.1 mp -73.01 -49.73 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 14.1 mm-40 -90.41 164.35 14.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.479 ' HA ' ' CG1' ' A' ' 63' ' ' ILE . 5.6 t -41.88 -53.3 3.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 32.2 m170 -36.46 -42.3 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 7.2 tp -84.16 -33.94 24.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 47.5 mm -48.58 -57.12 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -41.5 82.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.748 ' CE1' HG11 ' A' ' 68' ' ' VAL . 10.9 t60 -48.98 -41.88 35.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 12.9 m80 -38.97 -31.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -84.45 29.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 65' ' ' HIS . 7.3 p -99.19 -13.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.28 80.62 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.4 p -87.52 -37.75 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.49 97.31 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.3 t -122.7 -58.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.54 71.68 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 164.29 35.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -75.01 165.21 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.5 m -103.3 -56.32 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.465 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -121.78 150.84 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -151.08 177.09 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.34 -141.01 10.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -157.56 171.21 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -61.69 157.78 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.77 137.91 5.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -96.42 161.36 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -77.89 105.24 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -100.68 83.19 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -47.28 -60.67 2.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CB ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 pp0? -56.4 140.31 45.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -127.83 -50.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -154.91 111.1 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' ARG . 54.6 mt-10 -37.72 139.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.24 132.88 47.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtt85 -151.96 172.28 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.05 -65.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.11 154.36 39.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -150.72 156.54 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.2 t -109.95 76.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -39.0 -31.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.78 -55.17 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.3 -49.89 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.08 24.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -94.96 168.69 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.2 p -141.99 143.89 33.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -129.34 168.97 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.2 m -93.64 -41.5 9.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -111.11 131.95 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.4 p -50.29 -47.28 55.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.0 m -45.46 -46.55 13.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -56.9 -56.46 21.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.9 tp -50.88 -51.14 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -45.77 -43.45 13.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -68.31 -37.1 80.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ARG . 28.2 t60 -61.57 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' ' HG ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -35.95 -36.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' O ' HG22 ' A' ' 42' ' ' THR . 71.8 mtt180 -53.94 -48.61 70.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' HIS . 74.1 p -40.81 -33.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -75.84 60.66 1.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 39' ' ' ARG . 1.8 t -134.84 74.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 40.37 42.07 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' LYS . 7.4 tt0 -149.85 176.01 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' GLU . 31.1 mttp -33.41 96.85 0.1 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.519 0.676 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.2 Cg_endo -69.84 2.29 3.71 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 45.3 m-85 -121.66 138.23 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -170.1 117.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.0 t -73.49 152.44 40.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -99.2 -41.38 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -50.29 -49.13 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -98.24 -40.57 8.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.11 42.68 4.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -117.55 145.51 44.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.33 145.85 26.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 7.2 m-85 -131.12 157.43 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.31 -51.28 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 59.3 mm-40 -95.94 161.8 13.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -69.34 -58.72 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 p -43.54 -37.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 13.6 m170 -55.32 -39.55 70.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 tp -89.55 -50.39 6.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 83.9 mt -37.44 -56.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.29 -45.39 86.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -41.43 -42.21 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -37.99 -53.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' VAL . 30.0 mtp180 -47.13 -48.06 23.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' ARG . 61.3 t -36.96 -49.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -73.68 154.95 39.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 p -117.39 111.99 20.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -156.54 155.83 26.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 m -119.33 41.53 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.45 -144.77 36.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 12' ' ' GLN . 54.2 Cg_endo -69.74 173.68 10.6 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.5 t -51.44 114.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.6 t -58.97 155.78 12.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.469 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -137.21 168.28 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -154.08 174.97 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.19 158.82 28.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -170.39 148.27 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -85.25 151.69 23.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.07 -154.33 8.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -110.98 107.71 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -67.96 112.71 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -83.98 79.57 9.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 12' ' ' GLN . 37.4 p-90 -78.67 -46.66 18.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 30.4 tt0 -77.23 108.0 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -110.55 -35.59 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 55.73 46.64 22.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.43 110.06 5.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -102.06 138.8 38.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -130.33 167.12 19.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -85.13 -55.23 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -96.55 156.43 16.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -152.34 133.42 14.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -66.21 107.96 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.48 41.74 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -128.61 -42.08 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.2 -48.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.78 41.78 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -107.4 167.27 10.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.6 p -142.08 146.08 35.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -136.36 162.65 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -81.28 -44.17 18.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -105.28 150.31 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -70.07 -48.7 56.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -44.87 -48.4 11.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.36 -60.17 3.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 36.2 tp -45.81 -54.77 7.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -43.16 -39.72 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -73.22 -50.02 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.989 ' O ' HG22 ' A' ' 40' ' ' THR . 14.2 t60 -44.18 -57.68 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -36.25 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 42' ' ' THR . 57.8 mtt180 -50.21 -49.62 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 37' ' ' HIS . 4.0 t -42.34 -27.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -80.17 85.77 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 39' ' ' ARG . 39.1 p -121.06 -45.73 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.39 48.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.65 26.85 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -138.8 119.43 9.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.76 -4.91 14.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 59' ' ' ARG . 32.3 m-85 -115.5 154.35 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.09 147.83 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 50' ' ' ASP . 36.9 t -102.68 161.96 13.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' SG ' ' A' ' 49' ' ' CYS . 18.9 m-20 -105.16 -47.18 4.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.09 -60.35 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 28.4 p -83.47 -39.86 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.76 41.8 7.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -116.88 152.63 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.51 150.55 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -136.46 148.34 47.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.5 mt -74.49 -58.72 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 55.4 mm-40 -90.2 139.54 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 4.9 ptm180 -55.61 -46.7 77.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.736 ' HA ' HD12 ' A' ' 63' ' ' ILE . 40.0 t -47.21 -49.3 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 20.8 m170 -43.58 -37.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -85.22 -39.65 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 60' ' ' SER . 75.9 mt -44.78 -57.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.54 83.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' VAL . 29.5 t60 -50.72 -35.34 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -51.12 -32.08 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -84.32 27.63 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 65' ' ' HIS . 97.6 t -109.9 -54.98 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 52' ' ' CYS . 69.8 m-70 -58.49 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -97.53 -49.66 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.99 153.44 16.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.7 m -94.15 -50.55 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.63 -119.2 5.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 96.06 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.2 m -65.57 170.61 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -73.5 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.466 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -171.1 137.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -159.16 154.5 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.16 143.69 3.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -159.3 165.0 34.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.821 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -164.39 135.01 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.13 120.0 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -70.41 98.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 10' ' ' GLU . 26.5 m -148.05 165.42 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -34.47 112.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CE3' ' HG3' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -143.2 137.68 29.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.559 ' HG3' ' CE3' ' A' ' 11' ' ' TRP . 21.0 mt-30 63.44 42.07 7.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.41 96.75 7.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -85.81 118.79 25.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -98.51 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -101.42 139.43 37.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -126.74 174.78 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -73.85 -46.13 46.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 4.2 m-85 -103.99 150.76 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -162.96 121.64 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.59 84.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -46.92 -28.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -49.21 -50.31 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.69 -44.49 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.99 22.15 2.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -92.3 165.06 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -136.53 161.35 36.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -148.78 147.43 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.4 m -78.31 -33.46 49.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -110.44 116.9 32.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 77.1 p -45.32 -48.15 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -44.38 -57.74 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -43.99 -63.91 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD21 HH21 ' A' ' 38' ' ' ARG . 2.3 tp -39.1 -61.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' LEU . 37.2 m -35.5 -48.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -65.59 -39.83 92.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 1.01 ' O ' HG22 ' A' ' 40' ' ' THR . 21.1 t60 -64.18 -47.53 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 34' ' ' LEU . 11.9 mtt180 -42.93 -29.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 42' ' ' THR . 84.5 mtt180 -57.28 -42.7 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.805 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 37' ' ' HIS . 9.1 t -44.14 -22.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 66.6 m-70 -91.36 54.49 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 39' ' ' ARG . 46.1 p -133.46 -54.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.22 44.67 0.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -147.5 166.56 26.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -50.41 139.87 19.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.74 -2.08 9.55 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 45.6 m-85 -139.31 121.37 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -139.94 115.55 10.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.5 t -79.8 118.4 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.66 -39.94 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -42.42 -54.75 3.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 p -101.77 -45.11 5.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.14 31.62 3.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 20.4 tttp -101.75 149.16 24.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.82 142.5 46.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 54' ' ' LYS . 5.0 m-85 -139.83 149.43 43.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.71 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.55 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 11.2 tp60 -64.9 174.07 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 11.2 tpp180 -86.75 -57.94 2.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.3 t -51.66 -47.17 63.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 27.9 m170 -34.48 -34.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' SER . 23.0 tp -93.86 -38.98 10.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' SER . 40.6 mm -49.19 -36.57 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.67 -44.24 6.94 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.442 ' O ' HG22 ' A' ' 68' ' ' VAL . 7.3 t60 -49.3 -42.6 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ARG . 11.0 m80 -38.15 -35.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 22.5 ptt180 -37.45 -46.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.606 HG23 ' N ' ' A' ' 69' ' ' HIS . 33.5 m -45.11 -50.29 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.606 ' N ' HG23 ' A' ' 68' ' ' VAL . 29.7 m-70 -91.06 170.03 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 m -154.18 126.92 8.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -152.1 -167.27 14.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.8 p -98.52 128.63 44.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.54 -157.25 22.85 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 89.06 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -169.02 141.0 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.6 t -119.48 126.91 52.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.514 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -92.2 42.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -112.0 99.39 8.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.89 -75.52 0.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -114.62 122.1 45.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -62.99 132.56 52.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 159.18 21.39 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -117.98 110.5 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 p -113.32 93.27 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.92 96.24 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -69.94 -39.48 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' TRP . 24.1 mp0 -34.87 -49.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -85.78 92.6 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -92.95 125.66 37.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -49.91 168.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -118.25 178.64 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -137.47 148.63 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -109.2 -53.42 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 25.7 m-85 -104.57 158.81 16.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -153.4 146.67 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.6 t -102.46 77.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -39.06 -30.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' CYS . 6.3 mm-40 -49.37 -46.83 47.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.8 p -119.83 -46.52 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.25 11.25 2.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.77 164.59 26.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.1 p -143.91 133.48 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CZ ' ' HG2' ' A' ' 26' ' ' LYS . 5.7 m-85 -131.72 144.32 50.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 m -67.88 -45.08 75.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -99.66 145.47 27.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 87.6 p -68.81 -53.33 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.2 m -40.56 -51.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.18 -52.7 60.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HD2' ' A' ' 38' ' ' ARG . 25.5 tp -49.98 -39.8 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -58.78 -39.86 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -72.29 -24.69 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.535 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.5 t60 -72.57 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' HD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -36.7 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 37' ' ' HIS . 82.2 mtp180 -63.55 -47.57 81.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' HIS . 3.6 t -43.72 -28.94 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 59.4 m-70 -52.58 -49.74 64.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -104.02 139.25 39.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.0 36.06 92.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -170.99 175.72 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 1.3 mptm? -68.73 143.65 95.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.5 Cg_endo -69.77 1.02 4.82 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.322 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 46' ' ' PRO . 57.6 m-85 -139.24 138.2 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -154.12 150.1 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.0 t -110.15 162.28 14.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.36 -35.36 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 53.3 mm-40 -60.93 -48.55 81.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 p -101.37 -38.97 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.21 43.61 5.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 39.6 tttp -115.93 149.89 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -100.35 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.611 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -148.67 138.1 21.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -81.9 -55.5 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -88.6 177.81 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -81.52 -58.99 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -40.72 -31.29 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -59.45 -45.49 91.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 6.9 tp -88.13 -40.43 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -41.01 -66.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.8 -41.27 97.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.849 ' O ' HG12 ' A' ' 68' ' ' VAL . 86.5 t60 -44.94 -48.29 11.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.819 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -38.82 -37.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -61.08 -52.34 65.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 65' ' ' HIS . 3.8 p -45.51 -25.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 51' ' ' GLU . 17.1 m-70 -96.09 154.01 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -64.93 130.66 44.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.77 -174.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -70.8 175.93 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.32 -113.71 3.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 135.66 30.91 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -112.53 114.34 26.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -81.29 114.44 20.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.474 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -151.77 173.27 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.352 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -140.86 156.51 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.65 -162.92 9.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -44.16 151.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -102.5 -49.12 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.09 152.06 17.41 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.6 ptm180 -162.39 164.97 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' ARG . 22.1 m -34.62 145.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 11' ' ' TRP . 7.6 tp10 -82.95 152.27 25.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -94.44 68.49 3.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -145.0 106.97 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -143.45 127.29 17.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 58.18 50.68 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -47.7 136.0 11.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -145.99 119.97 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -144.02 176.3 9.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -124.22 -61.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.3 141.89 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -136.37 139.59 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 8.5 t -92.03 74.13 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.4 p-10 -36.39 -32.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' CYS . 23.7 mt-10 -48.12 -53.96 14.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 p -109.32 -48.47 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.34 28.26 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HZ3' ' CE1' ' A' ' 37' ' ' HIS . 18.3 mtpt -99.18 172.16 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.4 p -147.65 147.81 30.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -141.07 161.24 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 m -81.17 -45.39 16.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -99.53 141.29 32.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.5 p -67.83 -46.99 70.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -44.94 -46.94 11.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -58.41 -57.71 11.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -49.21 -47.44 46.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -50.03 -49.47 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -63.27 -42.46 99.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.869 ' O ' HG22 ' A' ' 40' ' ' THR . 5.1 t60 -56.2 -54.06 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . 8.1 mtp180 -39.11 -28.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' HIS . 51.6 mtp85 -53.23 -46.67 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.7 t -44.4 -28.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 40.6 m-70 -74.71 79.6 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 39' ' ' ARG . 9.5 t -171.79 127.98 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.08 -165.68 13.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -99.95 44.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.29 79.11 1.54 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.574 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 53.8 Cg_endo -69.75 -3.69 12.52 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.365 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 46' ' ' PRO . 43.2 m-85 -123.71 132.49 53.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -162.18 140.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -89.45 158.6 17.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -100.12 -51.67 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -44.24 -63.58 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -81.44 -39.93 24.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.65 49.66 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -121.76 149.73 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.45 151.17 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -138.18 162.93 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.5 mt -88.22 -57.24 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 15.4 mm100 -91.03 139.12 31.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 14.9 ptt-85 -53.05 -47.07 68.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 m -42.19 -41.89 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.8 m170 -53.52 -41.59 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 12.8 tp -83.25 -46.32 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.7 mt -43.66 -56.67 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.62 58.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.589 ' O ' HG12 ' A' ' 68' ' ' VAL . 3.9 t60 -51.4 -39.32 57.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 4.3 m80 -45.02 -23.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -95.61 27.23 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 65' ' ' HIS . 13.0 p -96.18 -34.5 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -94.03 131.48 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -124.18 140.59 52.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.79 72.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 t -73.75 114.47 12.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 53.6 -149.69 13.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 164.54 34.19 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.313 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.7 t -41.52 120.26 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' GLY . 12.3 m -39.82 -58.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -168.63 171.66 8.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -139.98 144.67 37.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.01 133.29 24.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -81.63 177.07 9.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.919 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -72.9 100.81 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.65 -107.86 2.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -56.23 132.59 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 t -92.2 41.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -115.82 98.58 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -138.93 133.5 31.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -134.95 41.43 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -148.88 165.0 32.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -61.18 128.08 34.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -50.96 151.04 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -48.76 -44.69 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 mmt-85 -93.52 154.96 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -63.2 -39.39 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -148.56 139.95 23.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -141.58 142.4 33.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' ASP . 14.7 t -93.11 77.63 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -34.54 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' CYS . 25.9 mm-40 -47.34 -56.82 6.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.0 p -103.77 -46.26 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.76 34.38 1.55 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -110.41 153.26 25.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 p -122.81 140.28 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -121.19 148.08 44.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.2 m -74.9 -40.05 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -106.71 113.41 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 p -40.79 -25.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' HIS . 9.8 m -62.28 -58.48 7.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.27 -56.9 3.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' NE ' ' A' ' 38' ' ' ARG . 13.4 tp -45.56 -61.36 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 38' ' ' ARG . 18.0 t -39.7 -48.54 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -65.71 -48.51 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.826 ' O ' HG22 ' A' ' 40' ' ' THR . 14.0 t60 -53.06 -54.88 28.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 35' ' ' SER . 7.5 mtt85 -37.03 -33.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' HIS . 64.6 mtp180 -48.84 -49.84 37.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 37' ' ' HIS . 8.8 t -43.57 -23.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 39' ' ' ARG . 53.3 m-70 -85.69 88.45 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.6 p -117.33 174.78 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.65 -104.51 2.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.9 pm0 -81.8 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 56' ' ' PHE . 26.7 mttt -35.36 128.79 0.55 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.7 Cg_endo -69.74 1.77 4.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 43.3 m-85 -139.54 134.24 31.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -164.24 146.91 9.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.4 t -101.65 129.49 47.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.62 -41.25 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.56 -59.02 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -46.98 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.64 41.03 2.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -115.51 143.08 45.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.61 145.19 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 6.9 m-85 -133.22 144.21 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' N ' ' HD3' ' A' ' 45' ' ' LYS . 89.7 mt -70.76 -62.81 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 13.6 mm100 -85.01 141.44 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.556 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -53.49 -50.22 65.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.684 ' HA ' HD12 ' A' ' 63' ' ' ILE . 88.4 p -42.74 -50.84 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m170 -40.65 -39.1 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 20.0 tp -78.61 -41.43 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 60' ' ' SER . 74.8 mt -45.31 -50.46 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.64 -48.5 28.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 1.003 ' O ' HG22 ' A' ' 68' ' ' VAL . 23.0 t60 -47.18 -45.94 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.462 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 8.5 m80 -38.92 -37.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 69' ' ' HIS . 15.5 mmt180 -45.03 -54.65 6.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 65' ' ' HIS . 29.8 m -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' ARG . 19.8 m-70 -114.79 174.27 6.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -104.68 91.39 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.158 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -145.65 137.25 6.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 p -160.02 178.09 10.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -164.23 -66.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 175.32 8.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 p -84.61 154.68 22.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -98.21 -52.54 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.532 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -115.09 118.91 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 p -141.12 122.09 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.48 171.24 21.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -123.89 176.42 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -82.03 -22.15 36.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.32 -72.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 61.73 42.34 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -111.68 159.62 18.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -115.98 140.28 49.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' GLN . 40.1 m95 -144.72 179.1 7.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' TRP . 18.5 pt20 34.43 40.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 5.1 pp0? -158.44 129.68 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -43.38 144.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -131.25 153.33 49.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -127.68 137.89 52.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.47 162.82 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -72.55 -50.21 27.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 31' ' ' SER . 28.6 m-85 -115.94 148.04 40.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -150.02 127.17 11.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 34' ' ' LEU . 7.8 t -76.5 77.88 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.76 -31.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -46.92 -50.19 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.86 -45.97 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.05 31.54 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 28' ' ' PHE . 12.9 tttp -101.54 163.02 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -131.65 143.49 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 26' ' ' LYS . 20.4 m-85 -132.44 168.63 17.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -99.18 -38.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -110.73 112.85 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 79.5 p -39.9 -46.5 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 m -44.46 -44.16 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -60.2 -64.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.1 tp -34.2 -39.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.0 m -62.1 -56.57 17.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -58.05 -35.62 71.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 40' ' ' THR . 6.8 t60 -58.66 -61.13 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -30.98 -46.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 42' ' ' THR . 51.3 mtt180 -39.78 -51.28 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 37' ' ' HIS . 12.9 t -42.02 -39.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 38' ' ' ARG . 54.7 m-70 -42.24 -40.05 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 39' ' ' ARG . 58.5 p -35.77 -57.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.54 160.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -128.57 -40.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.612 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -63.27 156.3 69.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 53.6 Cg_endo -69.8 3.43 2.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 44.2 m-85 -151.69 138.05 18.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -153.99 132.91 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 53' ' ' GLY . 48.7 t -94.35 102.37 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -54.49 -45.43 73.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -38.32 -62.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.2 p -90.78 -52.73 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' CYS . . . 114.83 30.49 2.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -108.99 148.08 31.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -106.16 146.7 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.76 100.75 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 57' ' ' ILE . 5.3 mp -37.33 -47.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 8.7 tt0 -88.15 170.66 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 17.2 ttt180 -88.65 -52.89 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ILE . 82.8 p -49.2 -53.18 22.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 58' ' ' GLN . 20.0 m170 -38.24 -35.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HG ' ' CE1' ' A' ' 66' ' ' HIS . 21.5 tp -80.63 -42.31 22.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' SER . 50.1 mm -46.13 -44.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.03 -52.52 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' VAL . 4.0 t60 -47.48 -44.7 25.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.513 ' CE1' ' HG ' ' A' ' 62' ' ' LEU . 5.7 m80 -39.15 -29.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' HIS . 11.5 mtp180 -86.38 30.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' HIS . 9.8 p -103.33 -30.94 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -95.2 76.74 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 71' ' ' GLY . 10.1 t -68.17 -42.89 79.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 70' ' ' THR . . . -142.93 121.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.5 m -78.94 -48.51 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 110.809 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.79 -149.54 9.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 106.3 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -44.96 94.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 m 50.43 42.44 26.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.477 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_