data_2eqr_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 2eqr _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 ' 15' ' ' TRP . . . . . . . . . . . . . 68.6 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.34 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 162.76 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.95 -55.78 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -47.9 -43.89 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.78 -57.32 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -45.38 -51.3 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.89 -43.0 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.75 -42.71 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.12 -39.47 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.86 -45.43 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.43 -56.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' PHE . 7.5 mptt -71.33 -48.46 50.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.9 t80 -36.04 -52.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -51.03 -49.91 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -71.48 -66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -107.77 77.16 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 149.5 66.55 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt 61.16 27.85 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -125.73 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.482 ' CE2' HG21 ' A' ' 50' ' ' VAL . 28.0 m-85 -75.78 -18.44 59.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.83 83.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . 12.7 tp -91.1 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mt -39.8 -32.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.09 -38.11 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 15.3 t -52.94 -40.09 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.26 -44.15 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.21 78.73 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.97 -44.58 67.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -52.18 -27.19 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -112.31 159.87 18.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 178.44 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -65.17 -58.26 12.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.73 -35.05 15.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.88 -39.48 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG21 ' CE2' ' A' ' 34' ' ' PHE . 5.4 p -39.61 -34.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.77 -54.92 31.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -41.82 -52.64 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -44.97 -36.44 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -78.24 -49.23 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -49.01 -48.51 43.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -119.33 -74.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.53 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -58.33 -58.04 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.38 -42.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -58.74 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.74 -54.25 49.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -43.13 -59.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -46.0 -48.43 16.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -52.06 -58.5 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -53.05 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -42.03 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -44.02 -53.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.55 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 61.0 m80 -112.02 81.59 3.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 144.07 52.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mttp 62.13 33.09 17.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.95 103.95 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -78.47 -48.78 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.46 -52.26 49.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -52.12 -62.31 1.72 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.7 mt -46.48 -45.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.31 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -44.03 -52.62 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 78.6 m-85 -57.86 -49.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.21 130.96 42.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.2 pt-20 -96.03 -44.37 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 41.1 mtt180 -87.91 37.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -146.45 168.42 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 m -125.19 -178.3 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.91 -58.3 8.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.01 -42.06 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 m -59.89 -46.29 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.8 t -41.51 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -44.21 -53.96 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -55.59 -57.31 12.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -43.74 -41.97 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -64.66 -54.16 36.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.0 mt -56.1 -41.42 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 28.5 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.16 177.97 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.4 -8.52 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.811 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.89 -18.2 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -103.83 -45.11 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -15.96 53.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 -18.99 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 41' ' ' LEU . 17.8 mm -74.53 -57.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -44.59 -47.39 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.39 -63.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -55.84 -55.33 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 24.0 mmtm -46.39 -29.1 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.08 -54.53 12.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.87 -51.21 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 20.8 pt20 -61.42 -51.71 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 65.5 m-70 -133.5 78.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.61 60.8 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.756 2.304 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp 60.44 36.16 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -127.74 49.96 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -38.53 -32.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.11 -52.03 35.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' CD2' ' CG ' ' A' ' 30' ' ' HIS . 10.0 tp -71.62 -34.97 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.1 mt -66.58 -43.27 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.03 50.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -64.35 -27.14 68.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 11.4 m-85 -92.14 -18.72 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 22' ' ' ILE . 17.7 mt -104.27 86.19 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.69 -36.37 80.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -48.43 -59.29 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -103.13 130.28 50.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' ASP . 45.8 m -71.19 -179.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.83 -58.05 21.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.4 Cg_endo -69.82 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' SER . 2.7 m-20 -87.93 -41.65 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.15 -24.17 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' TYR . 40.3 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.37 -42.88 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -68.16 -35.39 77.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.9 t80 -62.79 -31.07 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -77.35 -39.31 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.429 HD21 ' N ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -57.01 -49.9 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 19' ' ' GLU . 58.3 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -128.34 164.98 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -48.03 -51.0 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -49.05 -30.55 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 36.8 mm-40 -87.06 -45.15 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -55.36 -41.51 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -22.73 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.0 -32.82 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.71 -37.64 59.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 5.5 ptmm? -70.7 -35.41 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 13.5 t70 -62.63 -63.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -55.29 -42.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.48 -51.42 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.15 -59.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -58.56 -63.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' HG ' ' A' ' 36' ' ' LEU . 15.8 m80 -112.09 80.45 3.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 149.06 66.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.617 2.211 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 58.89 29.99 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.4 84.79 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.13 -50.78 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -45.45 -50.6 10.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' CG ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -53.77 -60.01 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.13 -61.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.31 16.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -54.88 -49.61 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.48 -56.47 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.59 146.87 54.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -108.76 -25.32 10.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.47 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE3' ' CE2' ' A' ' 15' ' ' TRP . 63.0 mmtt -67.46 174.17 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.33 177.96 7.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.87 -58.71 7.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.701 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -10.23 28.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.27 -37.55 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 50' ' ' VAL . 19.6 p -72.88 -45.6 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG13 ' CE1' ' A' ' 54' ' ' TYR . 55.7 t -40.66 -45.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -47.57 -44.81 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.98 -54.18 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -46.77 -39.19 11.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' CE1' HG13 ' A' ' 50' ' ' VAL . 3.7 m-85 -58.43 -50.8 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.01 -58.52 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CG ' ' CD1' ' A' ' 52' ' ' TYR . 1.9 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.817 0.342 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.483 ' HG1' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -134.37 -75.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.483 ' N ' ' HG1' ' A' ' 16' ' ' THR . 63.9 m-20 -130.42 -60.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -81.86 -24.68 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 4.3 mp0 -79.23 -35.73 41.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.68 -45.55 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 9.7 pt-20 -49.59 -46.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 92.3 mt -52.87 -60.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.7 -63.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -44.95 -59.17 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -40.02 -61.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 40' ' ' TYR . 4.6 mptt -43.91 -60.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 20.8 t80 -41.23 -35.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.4 mm -61.91 -43.84 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.68 -57.7 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' LEU . 68.9 m80 -128.77 80.86 71.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 53.7 Cg_endo -69.74 170.83 15.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 55.5 44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -160.23 113.08 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 70.6 m-85 -79.9 -60.63 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . . . -36.38 -68.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' A' ' 30' ' ' HIS . 6.0 tt -38.19 -53.59 1.43 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -52.73 -49.62 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.47 81.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -42.37 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 46.6 m-85 -52.56 -52.93 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.52 144.77 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.42 -35.25 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 14.0 mtp-105 -88.82 32.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 44.1 mttp -150.76 163.96 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -118.85 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -61.7 -58.57 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.617 0.723 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -85.46 -39.94 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 86.9 t -38.63 -61.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 mt -44.68 -51.19 9.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' CG ' ' A' ' 15' ' ' TRP . 84.7 t80 -52.72 -56.56 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.6 -47.28 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.49 -59.89 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.8 mp -39.49 -59.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -128.45 169.91 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.49 -58.58 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -45.04 -49.33 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.9 -44.73 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.45 -61.65 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -40.82 -45.76 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.3 mt -69.54 -54.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 3.4 t80 -40.56 -47.79 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.9 tmmm? -79.58 -27.57 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.19 -38.06 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' A' ' 40' ' ' TYR . 1.9 mppt? -88.27 -40.55 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -41.29 -44.1 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 HD11 ' CD ' ' A' ' 24' ' ' LYS . 45.4 mt -56.84 -52.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -63.8 -51.35 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 33.5 m-70 -129.96 79.18 73.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 159.03 55.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttm 62.01 31.74 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.65 109.12 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.9 m-85 -83.17 -60.74 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.81 -47.7 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 30' ' ' HIS . 5.4 tp -61.97 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.01 -62.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.02 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -42.4 -53.65 4.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 26' ' ' LYS . 68.9 m-85 -60.94 -44.57 97.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -85.12 101.8 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -54.93 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -41.88 -50.3 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 61.8 mmtt -74.29 174.69 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -135.52 169.07 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.508 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.03 -58.6 18.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.633 0.73 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 55.0 Cg_endo -69.62 -23.34 31.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -51.09 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' VAL . 37.9 m -50.68 -47.93 58.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 84.3 t -36.52 -63.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tt -42.67 -63.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CD2' ' CD2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -43.42 -44.73 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -55.08 -45.66 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -64.07 -52.18 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -42.07 -56.51 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 19' ' ' GLU . 43.5 m95 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -106.03 138.8 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.51 -15.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -89.82 -28.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 4.1 pt-20 -88.93 -43.88 10.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.72 -38.11 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 mm -63.25 -62.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CG ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -36.59 -57.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -47.92 -50.1 27.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' LYS . 4.5 m-20 -65.47 -60.48 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -35.47 -62.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -39.49 -43.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -53.73 -44.39 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.82 -40.67 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CG ' HD11 ' A' ' 36' ' ' LEU . 66.5 m-70 -133.24 82.52 53.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 137.0 34.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 61.64 42.08 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -134.36 74.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLY . 28.0 m-85 -59.15 -64.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.65 -48.0 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 30' ' ' HIS . 3.8 tt -63.5 -58.65 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.61 -47.35 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.95 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -48.16 -53.62 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -52.86 -60.89 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.01 141.53 57.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.3 pt-20 -99.56 -42.21 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 13.1 mmt-85 -90.34 33.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.538 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 31.7 mmtm -148.3 127.81 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -94.41 175.1 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.513 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.62 -58.03 17.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 111.222 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.87 -2.25 9.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.278 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.53 -51.72 5.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -51.46 -39.98 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.98 -49.77 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -42.51 -49.89 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' CG ' ' A' ' 23' ' ' PHE . 80.7 t80 -55.53 -56.98 13.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -39.64 -37.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.22 -47.0 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.28 -57.65 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CH2' ' HE3' ' A' ' 44' ' ' LYS . 24.4 m95 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' GLU . 47.5 p -91.13 145.17 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.29 -25.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -85.09 -33.39 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' THR . 41.3 mt-10 -74.82 -38.53 62.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -70.88 -16.0 62.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.22 -63.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 mp -49.32 -41.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -49.9 -43.01 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.6 -46.05 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -43.22 -56.17 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -69.18 -50.98 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' LYS . 52.7 t80 -36.58 -44.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.32 -49.99 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CG ' HD21 ' A' ' 33' ' ' ASN . 2.3 t-80 -122.59 80.9 47.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.553 0.692 . . . . 0.0 110.799 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.27 46.57 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 54.69 34.03 20.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.403 HD21 ' CG ' ' A' ' 30' ' ' HIS . 61.8 t-20 -130.87 86.34 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -71.2 -35.52 71.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.22 -36.16 61.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -81.44 -59.79 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.309 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.7 mt -47.17 -53.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 46' ' ' VAL . . . -52.66 -39.58 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -49.33 -30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -83.38 -47.18 11.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 38' ' ' ALA . 4.9 mt -56.56 122.52 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.11 -35.54 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -101.87 -67.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HE3' ' CH2' ' A' ' 15' ' ' TRP . 1.8 tppt? -38.57 156.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.99 168.47 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.7 -58.7 14.34 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.64 0.733 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.72 -0.68 7.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.87 -32.59 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 34' ' ' PHE . 20.7 p -79.56 -39.52 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.1 t -34.24 -42.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' TYR . 4.3 mp -66.82 -61.79 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' LEU . 12.7 t80 -37.49 -56.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -40.38 -47.79 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -62.94 -56.44 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -43.58 -51.31 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 19' ' ' GLU . 9.1 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 p -52.32 155.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.5 -46.29 27.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.33 -50.22 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 36.4 mm-40 -48.91 -59.13 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -55.96 -43.16 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 23.3 mt-10 -58.11 -45.55 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.37 -50.02 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.5 -47.4 57.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.85 -41.59 71.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -50.31 -57.29 8.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.802 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -64.96 -28.81 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -51.9 -46.68 64.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.98 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' CD ' ' HA ' ' A' ' 26' ' ' LYS . 3.1 pt20 -51.26 -55.4 18.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CD2' HD11 ' A' ' 36' ' ' LEU . 98.1 m-70 -117.2 83.93 16.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.99 41.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 62.0 41.27 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.81 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -60.89 -57.56 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.01 -61.8 4.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 30' ' ' HIS . 5.9 tt -37.81 -62.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.3 mt -50.07 -54.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . . . -50.2 -49.59 52.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -39.36 -48.7 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -66.51 -51.53 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.56 92.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.34 -45.88 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -53.48 -61.47 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.86 176.2 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -125.22 159.74 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.505 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -46.03 -58.69 5.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 -3.44 12.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.35 -42.34 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.14 -47.51 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.447 HG12 ' CD1' ' A' ' 51' ' ' LEU . 5.5 p -38.99 -45.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' A' ' 50' ' ' VAL . 9.9 mp -62.62 -48.07 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -46.41 -44.04 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.67 -44.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -64.5 -48.48 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.64 -46.39 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.483 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 34.0 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 p -101.21 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -48.87 -59.69 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 6.2 m80 -46.21 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 49.7 mt-10 -36.13 -48.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -59.97 -49.66 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -44.09 -49.01 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' PHE . 5.2 mp -62.7 -66.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.6 t80 -35.56 -47.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -45.41 -64.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.55 -41.78 86.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.05 -45.44 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -55.79 -58.56 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.44 -50.93 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -57.18 -59.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -128.94 83.12 67.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 145.48 57.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.779 2.319 . . . . 0.0 112.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 mttt 62.05 31.15 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -124.43 52.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD2' HG21 ' A' ' 50' ' ' VAL . 40.3 m-85 -44.63 -27.94 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.61 -47.8 60.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.44 -47.68 59.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.22 -55.99 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.23 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -41.52 -46.45 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -58.5 -60.89 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.45 143.29 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -20.88 14.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -99.89 19.65 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 19.4 mmtp -136.9 123.44 20.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.6 178.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.46 -58.38 13.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.3 Cg_endo -69.69 -9.3 25.79 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -86.65 -15.95 38.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 m -92.87 -39.71 11.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 34' ' ' PHE . 83.0 t -53.77 -39.68 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 51' ' ' LEU . 4.4 mm? -69.81 -54.31 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -42.38 -42.01 3.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -66.63 -57.83 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -53.44 -58.73 6.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mp -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.91 0.386 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 p -143.62 171.98 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -62.97 -47.71 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' GLU . 17.0 m170 -57.91 -62.05 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' HIS . 44.5 mt-10 -34.51 -49.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -44.7 -50.42 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.49 -42.71 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.56 -51.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' CD1' ' A' ' 52' ' ' TYR . 40.5 t80 -50.95 -47.04 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -75.12 -49.92 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 7.2 t0 -38.56 -46.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.536 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 1.7 mptp? -75.21 -51.16 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -39.15 -47.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -52.17 -44.21 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.55 -36.48 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 11.9 m80 -133.7 80.51 55.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.29 66.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 63.56 25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -126.51 90.2 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 18.6 m-85 -77.06 -48.71 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.9 48.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD2' ' CB ' ' A' ' 30' ' ' HIS . 13.5 tp -54.4 -53.99 46.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.4 mt -52.97 -46.62 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.93 -26.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 p -67.65 -49.89 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.8 m-85 -74.29 -33.65 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 12.5 mt -56.65 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 2.3 tt0 -83.6 29.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 11.7 mmm180 75.06 50.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -87.86 172.12 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 48' ' ' ASP . 3.8 m -76.86 158.74 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -66.92 -58.27 9.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.47 3.5 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-20 -88.28 -35.64 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 41' ' ' LEU . 86.2 m -77.68 -38.89 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.408 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -39.78 -53.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -48.98 -56.03 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 4.3 t80 -38.98 -56.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -40.97 -47.66 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.8 -56.28 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' THR . 3.4 mm? -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.7 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.504 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 4.1 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -133.7 -53.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 t-80 -81.07 -52.88 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -44.93 -27.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 -30.51 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.9 OUTLIER -74.79 -23.58 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.48 -58.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -43.52 -44.72 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -56.04 -50.88 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.93 -62.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 40' ' ' TYR . 29.7 mmtt -38.68 -47.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.82 -61.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -41.29 -55.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -60.32 -58.07 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CG ' HD21 ' A' ' 36' ' ' LEU . 26.6 m80 -112.11 81.0 3.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 139.17 39.81 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 63.88 37.64 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.36 84.54 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.0 -50.67 39.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.07 -49.1 69.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 30' ' ' HIS . 9.9 tp -56.22 -59.01 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.52 -56.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.77 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -41.64 -47.21 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 79.4 m-85 -55.86 -49.98 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.63 77.2 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -53.13 -45.54 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -59.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 27.1 mttp -80.28 177.95 8.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.0 p -116.13 -179.86 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -63.08 -58.16 17.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -82.57 -36.78 25.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' VAL . 67.5 m -76.61 -38.72 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.6 t -36.8 -59.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.46 -50.3 68.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -45.58 -53.44 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -48.42 -54.15 15.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -58.63 -51.96 67.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.9 mt -49.42 -46.41 47.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CZ2' ' HD3' ' A' ' 44' ' ' LYS . 40.1 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 p -115.86 171.1 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -57.35 -53.43 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -48.39 -52.12 23.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -54.86 -57.94 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -41.92 -53.07 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -39.24 -54.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 mp -61.68 -55.91 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -40.34 -50.63 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -59.39 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -54.74 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.18 -60.78 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 39.6 t80 -35.97 -52.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.95 -61.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.58 -50.8 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.503 ' CG ' HD22 ' A' ' 36' ' ' LEU . 34.1 m-70 -118.82 87.78 33.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 131.85 22.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.773 2.315 . . . . 0.0 112.35 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? 64.03 38.25 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PHE . 4.7 m120 -119.37 41.65 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASN . 31.8 m-85 -37.73 -39.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.96 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 30' ' ' HIS . 24.1 tp -51.09 -44.32 61.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mt -55.45 -59.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.02 -55.66 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -40.35 -42.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -69.34 -47.84 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.11 162.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.91 -76.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -135.0 73.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -118.85 167.85 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -128.39 154.96 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.1 t -53.6 -57.38 17.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.85 -7.72 21.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.03 -44.04 12.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.04 -43.84 95.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -48.62 -50.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.23 -58.48 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.503 ' CE1' HG23 ' A' ' 56' ' ' THR . 38.6 t80 -48.25 -55.32 10.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -48.65 -41.6 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.61 -48.45 72.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.09 -45.18 83.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 52' ' ' TYR . 71.4 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 9.0 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ASP . 41.4 p -106.61 141.67 37.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' THR . 46.5 m-20 -38.34 -44.79 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -53.66 -54.7 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 5.1 mm-40 -58.05 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' NZ ' ' CE1' ' A' ' 52' ' ' TYR . 18.8 mtpp -42.29 -57.25 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -42.73 -43.51 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.97 -51.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -50.81 -48.09 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -70.41 -42.61 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.29 -54.12 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -66.13 -41.01 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -41.89 -49.41 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.81 -63.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.92 -40.35 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 36' ' ' LEU . 79.9 m-70 -134.98 84.93 36.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 140.85 43.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 59.26 38.36 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.92 58.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -50.97 -40.3 57.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.7 -57.79 6.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 30' ' ' HIS . 5.5 tt -66.83 -55.11 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -40.37 -59.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.35 -42.47 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -39.19 -39.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -65.39 -50.17 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.71 142.16 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -46.52 8.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -94.31 -55.4 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 40.7 mmtm -53.62 138.79 33.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 m -105.07 175.81 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.95 -57.99 14.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.9 Cg_endo -69.84 -4.85 14.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.297 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.44 -43.54 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 51' ' ' LEU . 13.3 p -38.91 -39.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.039 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 50' ' ' VAL . 70.5 mt -49.55 -62.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE1' ' NZ ' ' A' ' 20' ' ' LYS . 66.8 t80 -38.69 -58.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -42.78 -44.42 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.14 -50.35 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.31 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.424 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 15.0 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -61.23 147.92 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.424 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 8.1 t0 -57.41 -27.78 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 22.9 m80 -78.0 -7.78 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.19 -53.5 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 17' ' ' ASP . 9.4 ptpt -53.69 -16.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CG ' HD12 ' A' ' 22' ' ' ILE . 10.7 pt-20 -74.1 -40.41 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 18' ' ' HIS . 5.2 mp -70.38 -46.73 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CD2' HG23 ' A' ' 37' ' ' ILE . 40.9 t80 -52.55 -40.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.94 -70.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.93 -43.96 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -51.22 -54.99 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -43.43 -47.51 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' GLN . 40.1 mt -52.78 -64.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ILE . 1.7 mp0 -36.47 -39.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -159.0 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 167.11 25.33 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 40.6 44.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -128.84 70.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.6 -30.48 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.83 -63.92 2.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tt -45.14 -53.37 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.524 HG23 ' CD2' ' A' ' 23' ' ' PHE . 64.0 mt -52.67 -52.46 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.07 81.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -40.17 -57.89 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -51.82 -45.4 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.55 157.44 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -112.51 -41.06 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.1 45.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 24.3 mmtm -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -95.67 158.93 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.88 -58.37 19.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -57.01 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.08 -46.98 17.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 p -40.96 -35.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.22 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -51.88 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -46.75 -30.14 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.21 -33.84 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.83 -45.07 13.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.509 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 16.8 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -118.52 161.99 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -48.52 -57.25 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.86 -44.46 39.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 21.7 mt-10 -60.2 -37.73 81.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -62.74 -58.66 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.79 -39.69 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.7 mt -62.68 -57.62 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -44.21 -51.73 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.8 -55.06 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 24.9 m-20 -36.94 -63.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HE2' ' CD1' ' A' ' 40' ' ' TYR . 5.8 mptt -62.07 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 57.6 t80 -34.73 -39.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.95 -61.51 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.47 -53.45 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -108.85 78.69 0.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.59 14.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.5 mttp 61.96 41.02 11.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.9 t-20 -125.96 35.87 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ASN . 9.4 m-85 -34.74 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ASN . . . -49.03 -52.57 21.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD22 ' C ' ' A' ' 36' ' ' LEU . 2.4 tt -79.38 -33.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.61 -36.62 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . . . -57.57 -20.78 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -55.0 -58.29 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 50.4 m-85 -72.0 -31.72 66.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 38' ' ' ALA . 78.9 mt -51.79 -174.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -149.44 115.05 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 48.81 34.67 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HD2' ' CE2' ' A' ' 15' ' ' TRP . 30.8 mmtt -117.97 92.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.75 156.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -58.75 -58.43 19.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.602 0.715 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.4 Cg_endo -69.72 -14.07 35.7 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -24.09 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.9 m -84.73 -38.39 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -43.6 -48.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.55 -44.16 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 1.6 t80 -59.49 -48.52 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -51.34 -38.41 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -71.42 -65.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.8 mt -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 44' ' ' LYS . 57.3 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.7 p -125.53 160.38 29.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.97 -42.48 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 37.5 m170 -58.91 -42.53 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.72 -18.77 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -70.65 -51.24 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -43.99 -37.94 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 18' ' ' HIS . 4.7 mp -64.21 -58.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.09 -52.56 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.18 -56.77 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -61.21 -52.41 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 19.5 mmtm -47.18 -60.53 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -45.12 -55.03 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 mt -47.14 -48.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -53.6 -44.99 69.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -155.13 105.03 2.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.65 62.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.318 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.08 40.96 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' PHE . 3.6 m120 -123.36 43.6 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' ASN . 21.0 m-85 -36.53 -53.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.82 -55.92 18.52 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -55.16 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -47.88 -37.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.04 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -40.14 -51.13 2.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 69.5 m-85 -61.99 -50.61 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.71 98.88 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -51.24 42.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -53.15 -51.49 61.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 1.4 mmmp? -63.26 174.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.68 165.97 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.07 -58.53 14.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.8 0.8 5.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.55 -40.02 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' VAL . 34.2 m -65.41 -49.85 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 p -36.42 -50.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -47.61 -56.62 6.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -39.64 -56.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -46.35 -48.07 18.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -57.93 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.39 -52.76 62.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.6 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -102.2 176.12 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' GLU . 13.0 m-70 -54.93 -70.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' HIS . 7.3 mm-40 -34.88 -52.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -48.74 -52.23 24.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -47.78 -61.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.4 mt -50.01 -63.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 t80 -47.02 -39.21 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -67.46 -38.95 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.69 -60.38 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -43.46 -60.56 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.7 t80 -35.31 -42.18 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.72 -48.09 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' LYS . 38.1 mt-30 -71.25 -48.62 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 2.2 t-80 -141.05 104.99 6.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.523 0.677 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 148.76 65.59 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 50.65 28.28 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -101.95 32.48 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' ASN . 43.9 m-85 -34.43 -42.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.31 -47.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -82.45 -50.68 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.327 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' CD2' ' A' ' 23' ' ' PHE . 64.1 mt -40.39 -42.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -54.22 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -40.9 -54.92 2.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.27 -54.77 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . 17.7 mt -71.75 94.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.57 -32.88 74.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.14 21.46 2.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 34.3 mmtm -142.5 -179.62 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -148.26 167.53 24.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.06 -58.69 17.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.7 -11.59 31.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.18 -27.98 22.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 p -94.08 -44.19 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.04 -37.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 55' ' ' LEU . 1.6 tp -79.33 -47.24 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.59 -43.67 56.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.67 -43.47 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.3 -48.8 78.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 51' ' ' LEU . 3.5 mp -46.05 -57.14 4.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.6 m95 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.805 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -110.96 177.43 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.36 -63.43 1.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -44.45 -55.49 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' CD2' ' A' ' 41' ' ' LEU . 5.8 mm-40 -40.58 -36.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.05 -67.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.37 -26.35 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.72 -58.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -47.91 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.87 -48.58 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HD2' ' CB ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -61.07 -44.16 97.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -44.97 -62.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.28 -61.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -48.52 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' HD23 ' A' ' 36' ' ' LEU . 1.8 p-80 -139.32 105.04 7.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.586 0.707 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 154.4 67.41 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.626 2.217 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 38.64 37.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.62 85.11 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' GLY . 64.1 m-85 -78.72 -54.07 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.92 -35.71 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD23 ' CE1' ' A' ' 30' ' ' HIS . 7.6 tp -80.74 -52.8 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.5 mt -47.11 -44.57 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.83 -39.89 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 m -50.04 -49.66 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CB ' ' HD2' ' A' ' 26' ' ' LYS . 40.5 m-85 -65.77 -38.47 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 19' ' ' GLU . 19.6 mt -54.27 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.98 102.02 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 mmt-85 62.51 47.26 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -123.03 85.91 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -40.15 154.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.499 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 1.9 t -55.29 -58.63 14.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.147 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -5.38 16.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.73 2.287 . . . . 0.0 112.304 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.0 -46.74 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.4 p -62.83 -34.21 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -40.91 -47.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -46.27 -55.05 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -46.45 -49.42 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -53.48 -48.67 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -55.14 -49.42 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.07 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 48.5 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.1 p -124.59 161.61 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -42.3 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -51.2 -55.39 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -57.14 -57.11 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLU . 62.3 mttp -37.48 -52.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -40.86 -60.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mp -53.48 -55.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.78 -55.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -61.29 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 27.5 t0 -43.85 -44.22 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -49.32 59.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -49.4 -44.55 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.8 -23.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.6 -64.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.97 78.61 1.32 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.548 0.689 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 146.61 60.34 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.591 2.194 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt 57.61 40.22 26.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' ND2' HD21 ' A' ' 36' ' ' LEU . 21.9 t-20 -127.48 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -39.83 -44.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.95 -40.94 51.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD21 ' ND2' ' A' ' 33' ' ' ASN . 6.8 tp -80.64 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.79 -41.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.14 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -43.07 -44.24 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -65.72 -49.69 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.74 95.52 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 6.8 pt-20 -64.47 -40.61 96.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 1.6 tpt180 -45.45 -49.15 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 mptp? -100.51 -175.79 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -142.77 -175.74 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -54.38 -58.53 13.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.81 -44.73 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.12 -15.38 9.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.2 -40.74 13.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.98 -44.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.44 -56.81 6.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -53.12 -58.14 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -38.85 -43.93 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.24 -61.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' THR . 52.1 mt -45.16 -42.73 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.8 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -91.77 -52.45 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -69.43 115.37 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.59 -72.85 0.7 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -102.55 95.71 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -65.43 -49.06 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.67 -89.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.97 41.05 4.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.802 0.334 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -62.4 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.56 134.15 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -66.2 108.5 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.8 mmt -113.28 112.42 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -108.32 79.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -154.33 135.05 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -55.83 118.3 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 162.76 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.95 -55.78 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -47.9 -43.89 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.78 -57.32 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -45.38 -51.3 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.89 -43.0 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.75 -42.71 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.12 -39.47 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.86 -45.43 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.43 -56.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' PHE . 7.5 mptt -71.33 -48.46 50.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.9 t80 -36.04 -52.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -51.03 -49.91 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -71.48 -66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -107.77 77.16 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 149.5 66.55 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt 61.16 27.85 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -125.73 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.482 ' CE2' HG21 ' A' ' 50' ' ' VAL . 28.0 m-85 -75.78 -18.44 59.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.83 83.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . 12.7 tp -91.1 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mt -39.8 -32.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.09 -38.11 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 15.3 t -52.94 -40.09 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.26 -44.15 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.21 78.73 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.97 -44.58 67.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -52.18 -27.19 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -112.31 159.87 18.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 178.44 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -65.17 -58.26 12.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.73 -35.05 15.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.88 -39.48 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG21 ' CE2' ' A' ' 34' ' ' PHE . 5.4 p -39.61 -34.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.77 -54.92 31.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -41.82 -52.64 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -44.97 -36.44 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -78.24 -49.23 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -49.01 -48.51 43.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.1 m -70.25 -23.74 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -115.08 44.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -105.27 109.88 22.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -120.43 168.52 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -99.34 100.95 12.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -139.53 111.26 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -139.11 131.07 27.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.1 114.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -161.55 124.33 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -64.11 142.28 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.64 122.13 1.49 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.4 41.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -77.29 169.09 18.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -47.65 -43.23 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -44.3 160.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtt -43.9 157.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -127.35 172.51 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG22 ' N ' ' A' ' 15' ' ' TRP . 8.0 p -118.44 139.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.467 ' N ' HG22 ' A' ' 14' ' ' VAL . 6.6 m95 -47.15 108.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -119.33 -74.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.53 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -58.33 -58.04 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -47.38 -42.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -58.74 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.74 -54.25 49.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -43.13 -59.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -46.0 -48.43 16.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -52.06 -58.5 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -53.05 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -42.03 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -44.02 -53.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.55 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 61.0 m80 -112.02 81.59 3.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 144.07 52.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mttp 62.13 33.09 17.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.95 103.95 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -78.47 -48.78 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.46 -52.26 49.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -52.12 -62.31 1.72 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.7 mt -46.48 -45.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.31 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -44.03 -52.62 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 78.6 m-85 -57.86 -49.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.21 130.96 42.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.2 pt-20 -96.03 -44.37 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 41.1 mtt180 -87.91 37.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -146.45 168.42 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 m -125.19 -178.3 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.91 -58.3 8.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.01 -42.06 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 m -59.89 -46.29 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.8 t -41.51 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -44.21 -53.96 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -55.59 -57.31 12.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -43.74 -41.97 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -64.66 -54.16 36.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.0 mt -56.1 -41.42 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -45.72 -52.31 11.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -95.53 28.21 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -112.67 -56.32 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 41.32 42.24 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -79.88 -40.45 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -130.63 104.84 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 61.17 42.86 11.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 74.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 m -79.73 164.93 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -131.97 131.73 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.53 -165.24 1.39 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -99.16 95.18 6.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -120.54 85.35 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 41.91 45.6 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -116.07 135.46 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -120.81 129.96 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -121.62 85.6 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.03 -44.42 95.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 28.5 m95 -51.33 118.97 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.16 177.97 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.4 -8.52 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.811 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.89 -18.2 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -103.83 -45.11 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -15.96 53.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 -18.99 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 41' ' ' LEU . 17.8 mm -74.53 -57.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -44.59 -47.39 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.39 -63.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -55.84 -55.33 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HA ' ' CD ' ' A' ' 29' ' ' GLN . 24.0 mmtm -46.39 -29.1 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.08 -54.53 12.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 mp -56.87 -51.21 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 20.8 pt20 -61.42 -51.71 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 65.5 m-70 -133.5 78.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.61 60.8 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.756 2.304 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp 60.44 36.16 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -127.74 49.96 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -38.53 -32.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.11 -52.03 35.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' CD2' ' CG ' ' A' ' 30' ' ' HIS . 10.0 tp -71.62 -34.97 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.1 mt -66.58 -43.27 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.03 50.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -64.35 -27.14 68.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 11.4 m-85 -92.14 -18.72 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' CG2' ' A' ' 22' ' ' ILE . 17.7 mt -104.27 86.19 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.69 -36.37 80.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -48.43 -59.29 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -103.13 130.28 50.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' ASP . 45.8 m -71.19 -179.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.83 -58.05 21.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.4 Cg_endo -69.82 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' SER . 2.7 m-20 -87.93 -41.65 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.15 -24.17 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' TYR . 40.3 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.37 -42.88 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -68.16 -35.39 77.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.9 t80 -62.79 -31.07 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -77.35 -39.31 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 HD21 ' N ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -57.01 -49.9 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.0 p -52.46 -19.16 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 36.0 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -55.5 -50.85 68.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -45.79 157.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -91.83 -38.08 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -149.99 131.24 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -126.64 158.53 36.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.09 178.95 28.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.8 t -115.79 83.86 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.0 m 35.15 41.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.57 108.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.18 144.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -40.3 123.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 51.58 47.38 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -99.97 114.4 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.8 mmt -52.1 119.38 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -113.91 101.74 9.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -131.59 134.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 19' ' ' GLU . 58.3 m95 -44.09 142.9 1.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -128.34 164.98 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -48.03 -51.0 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -49.05 -30.55 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 36.8 mm-40 -87.06 -45.15 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -55.36 -41.51 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -22.73 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.0 -32.82 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.71 -37.64 59.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 5.5 ptmm? -70.7 -35.41 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 13.5 t70 -62.63 -63.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -55.29 -42.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.48 -51.42 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.15 -59.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -58.56 -63.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' HG ' ' A' ' 36' ' ' LEU . 15.8 m80 -112.09 80.45 3.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 149.06 66.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.617 2.211 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 58.89 29.99 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.4 84.79 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.13 -50.78 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -45.45 -50.6 10.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' CG ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -53.77 -60.01 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.13 -61.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.31 16.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -54.88 -49.61 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.48 -56.47 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.59 146.87 54.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -108.76 -25.32 10.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.47 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE3' ' CE2' ' A' ' 15' ' ' TRP . 63.0 mmtt -67.46 174.17 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.33 177.96 7.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.87 -58.71 7.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.701 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -10.23 28.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.27 -37.55 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 50' ' ' VAL . 19.6 p -72.88 -45.6 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG13 ' CE1' ' A' ' 54' ' ' TYR . 55.7 t -40.66 -45.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -47.57 -44.81 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.98 -54.18 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -46.77 -39.19 11.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' CE1' HG13 ' A' ' 50' ' ' VAL . 3.7 m-85 -58.43 -50.8 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.01 -58.52 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' LYS . 31.4 p -56.08 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.2 tttm -35.04 -44.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.16 149.98 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.49 103.85 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -125.29 106.74 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -166.15 126.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -132.73 166.67 21.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.08 101.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -90.38 -52.78 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -140.69 131.36 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.72 83.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -169.81 123.47 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -150.55 174.76 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -69.84 133.7 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -132.1 158.52 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -159.19 177.01 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -51.06 94.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -84.16 -48.48 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CG ' ' CD1' ' A' ' 52' ' ' TYR . 1.9 m95 -63.91 117.28 6.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.483 ' HG1' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -134.37 -75.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.483 ' N ' ' HG1' ' A' ' 16' ' ' THR . 63.9 m-20 -130.42 -60.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -81.86 -24.68 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 4.3 mp0 -79.23 -35.73 41.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.68 -45.55 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 9.7 pt-20 -49.59 -46.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 92.3 mt -52.87 -60.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.7 -63.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -44.95 -59.17 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -40.02 -61.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 40' ' ' TYR . 4.6 mptt -43.91 -60.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 20.8 t80 -41.23 -35.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.4 mm -61.91 -43.84 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.68 -57.7 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' LEU . 68.9 m80 -128.77 80.86 71.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 53.7 Cg_endo -69.74 170.83 15.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 55.5 44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -160.23 113.08 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 70.6 m-85 -79.9 -60.63 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . . . -36.38 -68.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' A' ' 30' ' ' HIS . 6.0 tt -38.19 -53.59 1.43 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -52.73 -49.62 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.47 81.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -42.37 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 46.6 m-85 -52.56 -52.93 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.52 144.77 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.42 -35.25 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 14.0 mtp-105 -88.82 32.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 44.1 mttp -150.76 163.96 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -118.85 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -61.7 -58.57 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.617 0.723 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -85.46 -39.94 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 86.9 t -38.63 -61.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.9 mt -44.68 -51.19 9.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' CG ' ' A' ' 15' ' ' TRP . 84.7 t80 -52.72 -56.56 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.6 -47.28 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.49 -59.89 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.8 mp -39.49 -59.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p -44.06 -57.17 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -53.56 -45.89 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -147.88 138.54 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -46.8 -52.15 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.08 140.95 23.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -154.55 131.76 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -110.17 113.34 25.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 64.65 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -155.47 132.57 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.61 -61.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.48 72.42 0.15 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -111.61 -44.77 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -167.12 128.12 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' PHE . 80.3 mt-30 -130.48 125.82 35.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.4 t80 -35.8 -46.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -138.11 153.22 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -88.51 99.67 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.63 131.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.8 m95 -51.46 146.61 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -128.45 169.91 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.49 -58.58 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -45.04 -49.33 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.9 -44.73 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.45 -61.65 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -40.82 -45.76 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.3 mt -69.54 -54.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 3.4 t80 -40.56 -47.79 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.9 tmmm? -79.58 -27.57 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.19 -38.06 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE3' ' CD1' ' A' ' 40' ' ' TYR . 1.9 mppt? -88.27 -40.55 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -41.29 -44.1 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 HD11 ' CD ' ' A' ' 24' ' ' LYS . 45.4 mt -56.84 -52.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -63.8 -51.35 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 33.5 m-70 -129.96 79.18 73.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 159.03 55.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttm 62.01 31.74 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.65 109.12 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.9 m-85 -83.17 -60.74 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.81 -47.7 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 30' ' ' HIS . 5.4 tp -61.97 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.01 -62.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.02 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -42.4 -53.65 4.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 26' ' ' LYS . 68.9 m-85 -60.94 -44.57 97.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -85.12 101.8 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -54.93 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -41.88 -50.3 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 61.8 mmtt -74.29 174.69 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -135.52 169.07 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.03 -58.6 18.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.633 0.73 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 55.0 Cg_endo -69.62 -23.34 31.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -51.09 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' VAL . 37.9 m -50.68 -47.93 58.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 84.3 t -36.52 -63.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tt -42.67 -63.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CD2' ' CD2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -43.42 -44.73 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -55.08 -45.66 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -64.07 -52.18 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -42.07 -56.51 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p -62.03 -42.59 99.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.0 -45.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -118.57 126.84 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.21 166.8 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.75 94.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -140.51 140.3 35.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.813 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 57.67 44.32 20.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.13 54.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 89.1 p -49.54 101.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.788 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 57.18 40.32 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.22 -46.13 1.75 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.31 -45.73 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.65 159.5 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 11' ' ' PHE . 72.7 mm-40 -117.84 120.95 39.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' GLN . 13.2 m-85 35.52 43.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 mmt -93.84 46.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -174.89 106.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.8 t -48.22 -58.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CE3' ' HG3' ' A' ' 19' ' ' GLU . 43.5 m95 -48.31 135.91 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -106.03 138.8 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.51 -15.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -89.82 -28.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 4.1 pt-20 -88.93 -43.88 10.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.72 -38.11 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 mm -63.25 -62.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CG ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -36.59 -57.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -47.92 -50.1 27.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' LYS . 4.5 m-20 -65.47 -60.48 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -35.47 -62.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -39.49 -43.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -53.73 -44.39 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.82 -40.67 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CG ' HD11 ' A' ' 36' ' ' LEU . 66.5 m-70 -133.24 82.52 53.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 137.0 34.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 61.64 42.08 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -134.36 74.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLY . 28.0 m-85 -59.15 -64.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.65 -48.0 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 30' ' ' HIS . 3.8 tt -63.5 -58.65 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.61 -47.35 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.95 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -48.16 -53.62 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -52.86 -60.89 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.01 141.53 57.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.3 pt-20 -99.56 -42.21 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 13.1 mmt-85 -90.34 33.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 31.7 mmtm -148.3 127.81 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -94.41 175.1 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.513 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.62 -58.03 17.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 111.222 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.87 -2.25 9.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.278 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.53 -51.72 5.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -51.46 -39.98 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.98 -49.77 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -42.51 -49.89 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' CG ' ' A' ' 23' ' ' PHE . 80.7 t80 -55.53 -56.98 13.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -39.64 -37.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.22 -47.0 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.28 -57.65 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 57' ' ' LYS . 8.9 t -39.1 -33.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.448 ' N ' HG22 ' A' ' 56' ' ' THR . 27.0 tptt -86.86 -43.52 12.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -88.48 102.45 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -146.97 140.93 25.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -74.84 157.62 34.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -110.58 159.49 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -151.52 163.0 40.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.92 84.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -107.83 170.35 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 19.9 m -47.04 141.8 3.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.31 119.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -108.93 119.49 39.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -48.39 170.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' PHE . 13.5 mm100 -117.85 41.0 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m-85 -35.34 -46.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtt -150.13 119.52 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.78 92.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.16 -38.81 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CH2' ' HE3' ' A' ' 44' ' ' LYS . 24.4 m95 -112.72 127.22 56.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' GLU . 47.5 p -91.13 145.17 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.29 -25.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -85.09 -33.39 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' THR . 41.3 mt-10 -74.82 -38.53 62.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -70.88 -16.0 62.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.22 -63.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 mp -49.32 -41.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -49.9 -43.01 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.6 -46.05 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -43.22 -56.17 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -69.18 -50.98 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' LYS . 52.7 t80 -36.58 -44.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.32 -49.99 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CG ' HD21 ' A' ' 33' ' ' ASN . 2.3 t-80 -122.59 80.9 47.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.553 0.692 . . . . 0.0 110.799 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.27 46.57 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 54.69 34.03 20.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.403 HD21 ' CG ' ' A' ' 30' ' ' HIS . 61.8 t-20 -130.87 86.34 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -71.2 -35.52 71.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.22 -36.16 61.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -81.44 -59.79 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.309 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.7 mt -47.17 -53.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 46' ' ' VAL . . . -52.66 -39.58 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -49.33 -30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -83.38 -47.18 11.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 38' ' ' ALA . 4.9 mt -56.56 122.52 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.11 -35.54 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -101.87 -67.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.554 ' HE3' ' CH2' ' A' ' 15' ' ' TRP . 1.8 tppt? -38.57 156.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.99 168.47 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.501 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.7 -58.7 14.34 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.64 0.733 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.72 -0.68 7.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.87 -32.59 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 34' ' ' PHE . 20.7 p -79.56 -39.52 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.1 t -34.24 -42.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' TYR . 4.3 mp -66.82 -61.79 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' LEU . 12.7 t80 -37.49 -56.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -40.38 -47.79 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -62.94 -56.44 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 55' ' ' LEU . 2.9 mm? -43.58 -51.31 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -50.34 -57.89 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -39.26 -46.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -173.55 175.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -88.96 130.19 35.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -41.02 107.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -99.03 -55.44 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -50.52 -62.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.28 103.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -101.8 -59.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m 57.85 42.4 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.7 107.75 3.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.62 128.2 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.815 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -108.46 -44.61 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 9.4 mm-40 -111.31 84.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -158.5 168.57 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 37.3 ttp -124.76 149.09 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.57 155.97 32.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -119.74 -54.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 19' ' ' GLU . 9.1 m95 -57.67 100.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 p -52.32 155.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.5 -46.29 27.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.33 -50.22 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 36.4 mm-40 -48.91 -59.13 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -55.96 -43.16 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 23.3 mt-10 -58.11 -45.55 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.37 -50.02 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.5 -47.4 57.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.85 -41.59 71.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -50.31 -57.29 8.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.802 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -64.96 -28.81 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -51.9 -46.68 64.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.98 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' CD ' ' HA ' ' A' ' 26' ' ' LYS . 3.1 pt20 -51.26 -55.4 18.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CD2' HD11 ' A' ' 36' ' ' LEU . 98.1 m-70 -117.2 83.93 16.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.99 41.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 62.0 41.27 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.81 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -60.89 -57.56 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.01 -61.8 4.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 30' ' ' HIS . 5.9 tt -37.81 -62.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.3 mt -50.07 -54.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . . . -50.2 -49.59 52.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -39.36 -48.7 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -66.51 -51.53 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.56 92.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.34 -45.88 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -53.48 -61.47 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.86 176.2 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -125.22 159.74 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.505 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -46.03 -58.69 5.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 -3.44 12.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -84.35 -42.34 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.14 -47.51 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.447 HG12 ' CD1' ' A' ' 51' ' ' LEU . 5.5 p -38.99 -45.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' A' ' 50' ' ' VAL . 9.9 mp -62.62 -48.07 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -46.41 -44.04 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.67 -44.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -64.5 -48.48 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.64 -46.39 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -128.96 73.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HD2' ' CB ' ' A' ' 58' ' ' LYS . 1.4 pptp? -92.52 -15.07 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' HD2' ' A' ' 57' ' ' LYS . 37.0 tttm -158.38 126.7 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.84 101.32 6.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.96 169.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.9 m -34.63 143.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -110.23 161.48 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.54 89.88 1.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 p -163.1 146.58 10.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -119.82 42.21 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.793 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 52.9 3.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -119.0 138.53 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -150.16 119.74 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -87.88 151.97 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -118.24 -54.53 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -148.86 115.18 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -103.33 101.13 11.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.7 m -85.96 -177.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.483 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 34.0 m95 -115.39 129.57 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 p -101.21 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -48.87 -59.69 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 6.2 m80 -46.21 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 49.7 mt-10 -36.13 -48.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -59.97 -49.66 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -44.09 -49.01 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' PHE . 5.2 mp -62.7 -66.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.6 t80 -35.56 -47.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -45.41 -64.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.55 -41.78 86.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.05 -45.44 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -55.79 -58.56 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.44 -50.93 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -57.18 -59.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -128.94 83.12 67.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 145.48 57.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.779 2.319 . . . . 0.0 112.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 mttt 62.05 31.15 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -124.43 52.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD2' HG21 ' A' ' 50' ' ' VAL . 40.3 m-85 -44.63 -27.94 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.61 -47.8 60.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.44 -47.68 59.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.22 -55.99 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.23 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -41.52 -46.45 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -58.5 -60.89 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.45 143.29 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -20.88 14.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -99.89 19.65 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 19.4 mmtp -136.9 123.44 20.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.6 178.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.46 -58.38 13.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.3 Cg_endo -69.69 -9.3 25.79 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -86.65 -15.95 38.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 m -92.87 -39.71 11.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 34' ' ' PHE . 83.0 t -53.77 -39.68 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 51' ' ' LEU . 4.4 mm? -69.81 -54.31 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -42.38 -42.01 3.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -66.63 -57.83 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -53.44 -58.73 6.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mp -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -87.91 26.07 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' THR . 19.7 pttm -34.61 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 56.0 55.07 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -81.78 93.25 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -108.01 44.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -45.34 -58.91 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 54.06 34.43 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.89 145.59 17.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -107.38 113.59 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -72.15 -46.55 56.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.88 -155.77 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.74 107.45 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -99.25 41.38 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ARG . 19.6 mm-40 37.17 39.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -97.1 129.14 44.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.8 mtm -92.49 137.09 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -83.99 99.32 10.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -82.62 -40.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -57.72 173.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 p -143.62 171.98 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -62.97 -47.71 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' GLU . 17.0 m170 -57.91 -62.05 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 18' ' ' HIS . 44.5 mt-10 -34.51 -49.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -44.7 -50.42 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.49 -42.71 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.56 -51.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' CD1' ' A' ' 52' ' ' TYR . 40.5 t80 -50.95 -47.04 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -75.12 -49.92 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 7.2 t0 -38.56 -46.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.536 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 1.7 mptp? -75.21 -51.16 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -39.15 -47.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -52.17 -44.21 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.55 -36.48 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 11.9 m80 -133.7 80.51 55.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.29 66.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 63.56 25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -126.51 90.2 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 18.6 m-85 -77.06 -48.71 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.9 48.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD2' ' CB ' ' A' ' 30' ' ' HIS . 13.5 tp -54.4 -53.99 46.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.4 mt -52.97 -46.62 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.93 -26.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 p -67.65 -49.89 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.8 m-85 -74.29 -33.65 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 12.5 mt -56.65 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 2.3 tt0 -83.6 29.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 11.7 mmm180 75.06 50.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -87.86 172.12 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 48' ' ' ASP . 3.8 m -76.86 158.74 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -66.92 -58.27 9.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.47 3.5 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-20 -88.28 -35.64 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 41' ' ' LEU . 86.2 m -77.68 -38.89 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.408 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -39.78 -53.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -48.98 -56.03 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 4.3 t80 -38.98 -56.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -40.97 -47.66 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.8 -56.28 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' THR . 3.4 mm? -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.7 m -36.86 -50.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' O ' ' NZ ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -175.01 119.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -100.77 108.2 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -102.87 117.21 34.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -128.39 126.06 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -78.7 166.46 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.817 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -51.81 173.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.04 177.61 17.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 p -141.2 129.07 21.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -98.02 149.93 21.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.86 96.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -46.35 76.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -54.94 134.91 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 11' ' ' PHE . 12.0 pt20 -49.49 -44.9 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 5.2 m-85 -112.64 157.57 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -125.19 83.72 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -126.82 130.32 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -119.49 -55.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.504 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 4.1 m95 -41.95 117.31 0.93 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -133.7 -53.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 t-80 -81.07 -52.88 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -44.93 -27.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 -30.51 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.9 OUTLIER -74.79 -23.58 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.48 -58.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -43.52 -44.72 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -56.04 -50.88 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.93 -62.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 40' ' ' TYR . 29.7 mmtt -38.68 -47.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' CE2' ' OE2' ' A' ' 60' ' ' GLU . 50.6 t80 -52.82 -61.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -41.29 -55.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -60.32 -58.07 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CG ' HD21 ' A' ' 36' ' ' LEU . 26.6 m80 -112.11 81.0 3.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 139.17 39.81 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 63.88 37.64 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.36 84.54 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.0 -50.67 39.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.07 -49.1 69.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 30' ' ' HIS . 9.9 tp -56.22 -59.01 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.52 -56.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.77 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -41.64 -47.21 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 79.4 m-85 -55.86 -49.98 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.63 77.2 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -53.13 -45.54 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -59.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 27.1 mttp -80.28 177.95 8.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.0 p -116.13 -179.86 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -63.08 -58.16 17.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -82.57 -36.78 25.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' VAL . 67.5 m -76.61 -38.72 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.6 t -36.8 -59.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.46 -50.3 68.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -45.58 -53.44 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -48.42 -54.15 15.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -58.63 -51.96 67.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.9 mt -49.42 -46.41 47.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -127.96 73.51 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.56 -43.59 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -48.89 -38.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -46.79 -42.97 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' CE2' ' A' ' 27' ' ' PHE . 44.3 tt0 -118.13 101.62 8.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -135.04 120.95 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -119.7 169.84 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.61 104.39 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.434 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -90.55 80.45 6.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t 57.76 41.95 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.57 137.69 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.92 42.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -128.99 153.13 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -159.02 132.15 7.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -140.94 118.78 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -168.6 143.79 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -91.62 89.69 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.41 -42.36 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CZ2' ' HD3' ' A' ' 44' ' ' LYS . 40.1 m95 -53.78 115.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 p -115.86 171.1 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -57.35 -53.43 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -48.39 -52.12 23.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -54.86 -57.94 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -41.92 -53.07 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -39.24 -54.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 mp -61.68 -55.91 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -40.34 -50.63 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -59.39 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -54.74 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.18 -60.78 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 39.6 t80 -35.97 -52.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.95 -61.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.58 -50.8 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.503 ' CG ' HD22 ' A' ' 36' ' ' LEU . 34.1 m-70 -118.82 87.78 33.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 131.85 22.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.773 2.315 . . . . 0.0 112.35 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? 64.03 38.25 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PHE . 4.7 m120 -119.37 41.65 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASN . 31.8 m-85 -37.73 -39.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.96 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 30' ' ' HIS . 24.1 tp -51.09 -44.32 61.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mt -55.45 -59.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.02 -55.66 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -40.35 -42.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -69.34 -47.84 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.11 162.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.91 -76.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -135.0 73.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -118.85 167.85 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -128.39 154.96 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.1 t -53.6 -57.38 17.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.85 -7.72 21.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.03 -44.04 12.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.04 -43.84 95.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -48.62 -50.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.23 -58.48 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.503 ' CE1' HG23 ' A' ' 56' ' ' THR . 38.6 t80 -48.25 -55.32 10.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -48.65 -41.6 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.61 -48.45 72.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.09 -45.18 83.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 52' ' ' TYR . 71.4 p -65.21 -46.05 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 21.4 mtpt -37.97 -43.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt 38.48 42.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -86.96 96.79 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.41 161.21 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -65.37 132.52 49.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -38.85 -48.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.3 82.22 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -106.22 91.82 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -88.07 161.01 17.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.06 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -111.07 41.67 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 9' ' ' ARG . 4.7 mmm180 -126.74 126.01 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -155.77 126.54 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' CD2' ' HG2' ' A' ' 12' ' ' MET . 32.3 t80 -45.47 124.49 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.457 ' HG2' ' CD2' ' A' ' 11' ' ' PHE . 7.6 mmt 59.46 40.59 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -48.25 126.04 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.5 -42.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 9.0 m95 -54.78 145.0 20.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ASP . 41.4 p -106.61 141.67 37.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' THR . 46.5 m-20 -38.34 -44.79 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -53.66 -54.7 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 5.1 mm-40 -58.05 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' NZ ' ' CE1' ' A' ' 52' ' ' TYR . 18.8 mtpp -42.29 -57.25 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -42.73 -43.51 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.97 -51.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -50.81 -48.09 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -70.41 -42.61 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.29 -54.12 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -66.13 -41.01 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -41.89 -49.41 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.81 -63.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.92 -40.35 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 36' ' ' LEU . 79.9 m-70 -134.98 84.93 36.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 140.85 43.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 59.26 38.36 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.92 58.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -50.97 -40.3 57.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.7 -57.79 6.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 30' ' ' HIS . 5.5 tt -66.83 -55.11 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -40.37 -59.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.35 -42.47 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -39.19 -39.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -65.39 -50.17 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mt -48.71 142.16 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -46.52 8.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -94.31 -55.4 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 40.7 mmtm -53.62 138.79 33.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 m -105.07 175.81 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.95 -57.99 14.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.9 Cg_endo -69.84 -4.85 14.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.297 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.44 -43.54 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 51' ' ' LEU . 13.3 p -38.91 -39.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.039 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 50' ' ' VAL . 70.5 mt -49.55 -62.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.591 ' CE1' ' NZ ' ' A' ' 20' ' ' LYS . 66.8 t80 -38.69 -58.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -42.78 -44.42 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.14 -50.35 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -57.31 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 t -53.81 -40.54 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -50.78 -46.51 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -136.49 118.02 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -139.4 176.4 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -102.83 114.99 29.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -126.24 134.93 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -143.61 158.55 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.64 -107.51 0.48 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -52.39 126.23 18.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -159.04 159.98 35.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.16 40.24 3.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -131.38 168.95 16.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.741 0.305 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -96.09 46.06 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -135.51 160.18 39.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.87 119.18 20.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -59.76 156.86 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.83 130.06 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.65 132.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.424 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 15.0 m95 -90.57 106.04 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -61.23 147.92 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 8.1 t0 -57.41 -27.78 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 22.9 m80 -78.0 -7.78 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.19 -53.5 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 17' ' ' ASP . 9.4 ptpt -53.69 -16.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CG ' HD12 ' A' ' 22' ' ' ILE . 10.7 pt-20 -74.1 -40.41 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 18' ' ' HIS . 5.2 mp -70.38 -46.73 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.524 ' CD2' HG23 ' A' ' 37' ' ' ILE . 40.9 t80 -52.55 -40.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.94 -70.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.93 -43.96 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -51.22 -54.99 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -43.43 -47.51 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' GLN . 40.1 mt -52.78 -64.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ILE . 1.7 mp0 -36.47 -39.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -159.0 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 167.11 25.33 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 40.6 44.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -128.84 70.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.6 -30.48 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.83 -63.92 2.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.8 tt -45.14 -53.37 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.524 HG23 ' CD2' ' A' ' 23' ' ' PHE . 64.0 mt -52.67 -52.46 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.07 81.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -40.17 -57.89 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -51.82 -45.4 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.55 157.44 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -112.51 -41.06 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.1 45.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 24.3 mmtm -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -95.67 158.93 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.88 -58.37 19.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -57.01 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.08 -46.98 17.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 p -40.96 -35.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.22 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -51.88 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -46.75 -30.14 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' O ' ' CD ' ' A' ' 57' ' ' LYS . 1.7 t80 -70.21 -33.84 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.83 -45.07 13.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' LYS . 77.3 p -37.45 -35.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 54' ' ' TYR . 7.4 ptmm? -36.3 -43.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 85.01 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -123.93 159.61 29.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -119.19 -39.95 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.885 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -58.72 127.0 30.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m 51.68 41.97 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.38 159.8 20.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -51.45 -56.8 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -111.04 161.66 15.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 136.62 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.63 173.89 8.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -106.24 -44.25 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -86.17 151.93 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -141.85 126.03 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -121.21 144.99 48.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -72.42 109.13 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 15' ' ' TRP . 6.4 p -149.4 137.84 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.509 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 16.8 m95 -111.4 154.1 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -118.52 161.99 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -48.52 -57.25 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.86 -44.46 39.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 21.7 mt-10 -60.2 -37.73 81.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -62.74 -58.66 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.79 -39.69 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.7 mt -62.68 -57.62 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -44.21 -51.73 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.8 -55.06 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 24.9 m-20 -36.94 -63.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HE2' ' CD1' ' A' ' 40' ' ' TYR . 5.8 mptt -62.07 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 57.6 t80 -34.73 -39.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.95 -61.51 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.47 -53.45 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -108.85 78.69 0.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.59 14.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.5 mttp 61.96 41.02 11.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.9 t-20 -125.96 35.87 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ASN . 9.4 m-85 -34.74 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ASN . . . -49.03 -52.57 21.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD22 ' C ' ' A' ' 36' ' ' LEU . 2.4 tt -79.38 -33.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.61 -36.62 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . . . -57.57 -20.78 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -55.0 -58.29 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 50.4 m-85 -72.0 -31.72 66.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 38' ' ' ALA . 78.9 mt -51.79 -174.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -149.44 115.05 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 48.81 34.67 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HD2' ' CE2' ' A' ' 15' ' ' TRP . 30.8 mmtt -117.97 92.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.75 156.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -58.75 -58.43 19.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.602 0.715 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.4 Cg_endo -69.72 -14.07 35.7 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -24.09 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.9 m -84.73 -38.39 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -43.6 -48.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.55 -44.16 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 1.6 t80 -59.49 -48.52 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -51.34 -38.41 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -71.42 -65.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.8 mt -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -46.25 -48.99 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.11 -45.29 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -143.79 121.98 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -48.53 138.76 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.08 125.6 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -47.57 154.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -44.12 106.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.02 70.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -159.09 159.88 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -155.09 131.14 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.32 97.85 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 10' ' ' GLN . 10.0 t0 -156.58 118.96 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' OE1' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -36.68 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' OE1' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -114.3 146.7 40.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -92.82 156.96 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.1 mmt -155.6 169.23 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.64 164.53 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.48 138.05 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.502 ' CZ2' ' HE3' ' A' ' 44' ' ' LYS . 57.3 m95 -63.51 130.33 43.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.7 p -125.53 160.38 29.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.97 -42.48 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 37.5 m170 -58.91 -42.53 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.72 -18.77 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -70.65 -51.24 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -43.99 -37.94 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 18' ' ' HIS . 4.7 mp -64.21 -58.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.09 -52.56 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.18 -56.77 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -61.21 -52.41 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 19.5 mmtm -47.18 -60.53 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -45.12 -55.03 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 mt -47.14 -48.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -53.6 -44.99 69.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -155.13 105.03 2.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.65 62.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.318 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.08 40.96 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' PHE . 3.6 m120 -123.36 43.6 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' ASN . 21.0 m-85 -36.53 -53.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.82 -55.92 18.52 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -55.16 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -47.88 -37.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.04 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -40.14 -51.13 2.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 69.5 m-85 -61.99 -50.61 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.71 98.88 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -51.24 42.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -53.15 -51.49 61.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 1.4 mmmp? -63.26 174.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.68 165.97 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.07 -58.53 14.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.8 0.8 5.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.55 -40.02 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' VAL . 34.2 m -65.41 -49.85 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 p -36.42 -50.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -47.61 -56.62 6.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -39.64 -56.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -46.35 -48.07 18.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -57.93 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.39 -52.76 62.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 p -56.24 -42.52 77.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.83 80.86 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -99.53 38.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.34 -44.94 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.33 131.6 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -112.78 130.05 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -92.93 -26.81 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 146.65 9.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 88.41 4.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -148.03 120.32 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.75 -105.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.11 134.31 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.81 148.05 38.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' PHE . 20.4 mp0 -140.08 115.18 9.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLN . 31.4 m-85 37.81 42.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -116.02 128.99 56.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -135.26 166.56 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.62 136.51 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.6 m95 -90.99 128.69 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -102.2 176.12 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' GLU . 13.0 m-70 -54.93 -70.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' HIS . 7.3 mm-40 -34.88 -52.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -48.74 -52.23 24.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -47.78 -61.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.4 mt -50.01 -63.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 t80 -47.02 -39.21 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -67.46 -38.95 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.69 -60.38 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -43.46 -60.56 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.7 t80 -35.31 -42.18 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.72 -48.09 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' LYS . 38.1 mt-30 -71.25 -48.62 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 2.2 t-80 -141.05 104.99 6.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.523 0.677 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 148.76 65.59 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 50.65 28.28 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -101.95 32.48 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' ASN . 43.9 m-85 -34.43 -42.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.31 -47.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -82.45 -50.68 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.327 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' CD2' ' A' ' 23' ' ' PHE . 64.1 mt -40.39 -42.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -54.22 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -40.9 -54.92 2.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.27 -54.77 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . 17.7 mt -71.75 94.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.57 -32.88 74.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.14 21.46 2.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 34.3 mmtm -142.5 -179.62 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -148.26 167.53 24.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.06 -58.69 17.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.7 -11.59 31.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.18 -27.98 22.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 p -94.08 -44.19 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -44.04 -37.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 55' ' ' LEU . 1.6 tp -79.33 -47.24 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.59 -43.67 56.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.67 -43.47 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.3 -48.8 78.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD1' HD12 ' A' ' 51' ' ' LEU . 3.5 mp -46.05 -57.14 4.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.9 p -64.34 -38.82 92.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.4 tmtt? -36.19 -46.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -92.1 169.89 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.34 178.09 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -82.25 -39.67 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -90.13 134.89 33.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -133.62 118.3 18.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.29 85.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -63.82 148.93 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.799 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 t -43.09 -50.35 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 56.85 1.98 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.17 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -134.51 112.2 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -100.99 148.02 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -88.82 -47.76 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 mtp -106.81 172.27 6.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -87.8 141.61 28.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -155.94 133.11 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -81.47 143.48 32.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -110.96 177.43 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.36 -63.43 1.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -44.45 -55.49 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' CD2' ' A' ' 41' ' ' LEU . 5.8 mm-40 -40.58 -36.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.05 -67.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.37 -26.35 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.72 -58.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -47.91 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.87 -48.58 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HD2' ' CB ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -61.07 -44.16 97.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -44.97 -62.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.28 -61.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -48.52 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' HD23 ' A' ' 36' ' ' LEU . 1.8 p-80 -139.32 105.04 7.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.586 0.707 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 154.4 67.41 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.626 2.217 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 38.64 37.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.62 85.11 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' GLY . 64.1 m-85 -78.72 -54.07 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.92 -35.71 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD23 ' CE1' ' A' ' 30' ' ' HIS . 7.6 tp -80.74 -52.8 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.5 mt -47.11 -44.57 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.83 -39.89 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 m -50.04 -49.66 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CB ' ' HD2' ' A' ' 26' ' ' LYS . 40.5 m-85 -65.77 -38.47 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 19' ' ' GLU . 19.6 mt -54.27 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.98 102.02 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 mmt-85 62.51 47.26 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -123.03 85.91 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -40.15 154.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.499 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 1.9 t -55.29 -58.63 14.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.147 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -5.38 16.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.73 2.287 . . . . 0.0 112.304 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.0 -46.74 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.4 p -62.83 -34.21 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -40.91 -47.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -46.27 -55.05 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -46.45 -49.42 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -53.48 -48.67 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -55.14 -49.42 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.07 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -49.56 -54.4 18.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -123.26 86.57 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -68.87 118.75 12.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.75 141.43 30.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -136.64 155.0 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -75.6 131.56 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -91.65 -49.18 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.2 149.09 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -107.17 -48.31 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -56.78 126.61 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.69 117.54 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -116.1 137.73 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -119.71 141.75 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' PHE . 4.3 tp-100 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' GLN . 11.6 p90 -35.49 104.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.6 ttt -83.18 41.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -170.97 128.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -41.28 -40.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 48.5 m95 -57.94 134.88 56.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.1 p -124.59 161.61 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -42.3 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -51.2 -55.39 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -57.14 -57.11 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLU . 62.3 mttp -37.48 -52.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -40.86 -60.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mp -53.48 -55.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.78 -55.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -61.29 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 27.5 t0 -43.85 -44.22 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -49.32 59.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -49.4 -44.55 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.8 -23.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.6 -64.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.97 78.61 1.32 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.548 0.689 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 146.61 60.34 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.591 2.194 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt 57.61 40.22 26.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' ND2' HD21 ' A' ' 36' ' ' LEU . 21.9 t-20 -127.48 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -39.83 -44.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.95 -40.94 51.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD21 ' ND2' ' A' ' 33' ' ' ASN . 6.8 tp -80.64 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.79 -41.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.14 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -43.07 -44.24 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -65.72 -49.69 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.74 95.52 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 6.8 pt-20 -64.47 -40.61 96.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 1.6 tpt180 -45.45 -49.15 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 mptp? -100.51 -175.79 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -142.77 -175.74 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -54.38 -58.53 13.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.81 -44.73 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.12 -15.38 9.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.2 -40.74 13.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.98 -44.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.44 -56.81 6.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -53.12 -58.14 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -38.85 -43.93 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.24 -61.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' THR . 52.1 mt -45.16 -42.73 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 20.8 m -36.06 -42.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 13.5 ptmt -35.04 -45.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -137.69 146.09 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -173.05 159.5 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -44.17 154.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.1 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.6 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.34 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 162.76 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.95 -55.78 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -47.9 -43.89 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.78 -57.32 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -45.38 -51.3 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.89 -43.0 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.75 -42.71 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.12 -39.47 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.86 -45.43 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.43 -56.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' PHE . 7.5 mptt -71.33 -48.46 50.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.9 t80 -36.04 -52.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -51.03 -49.91 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -71.48 -66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -107.77 77.16 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 149.5 66.55 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt 61.16 27.85 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -125.73 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.984 ' CE2' HG23 ' A' ' 50' ' ' VAL . 28.0 m-85 -75.78 -18.44 59.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.83 83.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . 12.7 tp -91.1 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mt -39.8 -32.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.09 -38.11 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 15.3 t -52.94 -40.09 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.26 -44.15 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.21 78.73 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.97 -44.58 67.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -52.18 -27.19 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -112.31 159.87 18.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 178.44 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -65.17 -58.26 12.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.73 -35.05 15.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.88 -39.48 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.984 HG23 ' CE2' ' A' ' 34' ' ' PHE . 5.4 p -39.61 -34.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.77 -54.92 31.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -41.82 -52.64 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -44.97 -36.44 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -78.24 -49.23 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -49.01 -48.51 43.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -119.33 -74.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.53 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -58.33 -58.04 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.5 mm-40 -47.38 -42.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -58.74 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.74 -54.25 49.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' GLU . 54.7 mt -43.13 -59.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -46.0 -48.43 16.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -52.06 -58.5 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HD3' ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -53.05 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -42.03 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -44.02 -53.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.55 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 61.0 m80 -112.02 81.59 3.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 144.07 52.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mttp 62.13 33.09 17.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.95 103.95 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -78.47 -48.78 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.46 -52.26 49.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -52.12 -62.31 1.72 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.7 mt -46.48 -45.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.31 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -44.03 -52.62 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 78.6 m-85 -57.86 -49.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.21 130.96 42.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.2 pt-20 -96.03 -44.37 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 41.1 mtt180 -87.91 37.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -146.45 168.42 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 m -125.19 -178.3 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.91 -58.3 8.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.01 -42.06 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 m -59.89 -46.29 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.8 t -41.51 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -44.21 -53.96 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -55.59 -57.31 12.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -43.74 -41.97 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -64.66 -54.16 36.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.0 mt -56.1 -41.42 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.433 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 28.5 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.16 177.97 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.4 -8.52 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.811 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.89 -18.2 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -103.83 -45.11 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -15.96 53.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 -18.99 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' HG3' ' A' ' 26' ' ' LYS . 17.8 mm -74.53 -57.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -44.59 -47.39 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.39 -63.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -55.84 -55.33 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' A' ' 22' ' ' ILE . 24.0 mmtm -46.39 -29.1 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.08 -54.53 12.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.4 mp -56.87 -51.21 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 20.8 pt20 -61.42 -51.71 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 65.5 m-70 -133.5 78.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.61 60.8 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.756 2.304 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp 60.44 36.16 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -127.74 49.96 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -38.53 -32.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.11 -52.03 35.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' CD2' ' CG ' ' A' ' 30' ' ' HIS . 10.0 tp -71.62 -34.97 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.512 HG23 ' CB ' ' A' ' 26' ' ' LYS . 43.1 mt -66.58 -43.27 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.03 50.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -64.35 -27.14 68.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 11.4 m-85 -92.14 -18.72 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD21 ' HB ' ' A' ' 22' ' ' ILE . 17.7 mt -104.27 86.19 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.69 -36.37 80.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -48.43 -59.29 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -103.13 130.28 50.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 48' ' ' ASP . 45.8 m -71.19 -179.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.83 -58.05 21.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.4 Cg_endo -69.82 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . 2.7 m-20 -87.93 -41.65 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.15 -24.17 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' TYR . 40.3 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.5 mm? -42.37 -42.88 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' THR . 16.3 t80 -68.16 -35.39 77.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.9 t80 -62.79 -31.07 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -77.35 -39.31 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -57.01 -49.9 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 52' ' ' TYR . 23.0 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 19' ' ' GLU . 58.3 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -128.34 164.98 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -48.03 -51.0 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -49.05 -30.55 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 36.8 mm-40 -87.06 -45.15 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -55.36 -41.51 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -22.73 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.56 HG21 HD21 ' A' ' 41' ' ' LEU . 77.4 mt -84.0 -32.82 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.71 -37.64 59.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 5.5 ptmm? -70.7 -35.41 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 13.5 t70 -62.63 -63.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -55.29 -42.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.48 -51.42 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.15 -59.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -58.56 -63.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CG ' ' HG ' ' A' ' 36' ' ' LEU . 15.8 m80 -112.09 80.45 3.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 149.06 66.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.617 2.211 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 58.89 29.99 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.4 84.79 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.13 -50.78 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -45.45 -50.6 10.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -53.77 -60.01 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.13 -61.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.31 16.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -54.88 -49.61 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.466 ' HE1' HD11 ' A' ' 36' ' ' LEU . 14.3 m-85 -57.48 -56.47 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.56 HD21 HG21 ' A' ' 22' ' ' ILE . 37.1 mt -66.59 146.87 54.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -108.76 -25.32 10.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.47 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HE3' ' CE2' ' A' ' 15' ' ' TRP . 63.0 mmtt -67.46 174.17 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.33 177.96 7.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.87 -58.71 7.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.701 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -10.23 28.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.27 -37.55 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 50' ' ' VAL . 19.6 p -72.88 -45.6 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG1' ' CE1' ' A' ' 54' ' ' TYR . 55.7 t -40.66 -45.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -47.57 -44.81 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.98 -54.18 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -46.77 -39.19 11.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.467 ' CE1' ' CG1' ' A' ' 50' ' ' VAL . 3.7 m-85 -58.43 -50.8 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.01 -58.52 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CG ' ' CD1' ' A' ' 52' ' ' TYR . 1.9 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.817 0.342 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -134.37 -75.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.571 ' H ' HG23 ' A' ' 16' ' ' THR . 63.9 m-20 -130.42 -60.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -81.86 -24.68 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 4.3 mp0 -79.23 -35.73 41.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.68 -45.55 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 9.7 pt-20 -49.59 -46.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 92.3 mt -52.87 -60.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.7 -63.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -44.95 -59.17 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -40.02 -61.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE2' ' CG ' ' A' ' 40' ' ' TYR . 4.6 mptt -43.91 -60.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 20.8 t80 -41.23 -35.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.4 mm -61.91 -43.84 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.68 -57.7 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -128.77 80.86 71.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 53.7 Cg_endo -69.74 170.83 15.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 55.5 44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -160.23 113.08 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 70.6 m-85 -79.9 -60.63 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . . . -36.38 -68.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.0 tt -38.19 -53.59 1.43 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -52.73 -49.62 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.47 81.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -42.37 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 46.6 m-85 -52.56 -52.93 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.656 HD13 ' HD2' ' A' ' 44' ' ' LYS . 6.2 mt -63.52 144.77 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.42 -35.25 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 14.0 mtp-105 -88.82 32.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.656 ' HD2' HD13 ' A' ' 41' ' ' LEU . 44.1 mttp -150.76 163.96 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -118.85 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 47' ' ' PRO . 2.0 t -61.7 -58.57 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.617 0.723 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' N ' HG12 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -85.46 -39.94 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 86.9 t -38.63 -61.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 55' ' ' LEU . 34.9 mt -44.68 -51.19 9.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' CG ' ' A' ' 15' ' ' TRP . 84.7 t80 -52.72 -56.56 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.6 -47.28 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.49 -59.89 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 51' ' ' LEU . 8.8 mp -39.49 -59.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -128.45 169.91 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.49 -58.58 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -45.04 -49.33 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.9 -44.73 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.45 -61.65 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -40.82 -45.76 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.796 HG22 ' NZ ' ' A' ' 26' ' ' LYS . 49.3 mt -69.54 -54.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 3.4 t80 -40.56 -47.79 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -79.58 -27.57 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.19 -38.06 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.796 ' NZ ' HG22 ' A' ' 22' ' ' ILE . 1.9 mppt? -88.27 -40.55 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -41.29 -44.1 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.84 -52.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -63.8 -51.35 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 33.5 m-70 -129.96 79.18 73.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 159.03 55.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttm 62.01 31.74 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.65 109.12 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.9 m-85 -83.17 -60.74 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.81 -47.7 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 30' ' ' HIS . 5.4 tp -61.97 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 ' HE2' ' A' ' 26' ' ' LYS . 72.3 mt -63.01 -62.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.02 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -42.4 -53.65 4.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' CD1' ' HE3' ' A' ' 26' ' ' LYS . 68.9 m-85 -60.94 -44.57 97.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -85.12 101.8 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -54.93 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -41.88 -50.3 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 61.8 mmtt -74.29 174.69 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -135.52 169.07 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.03 -58.6 18.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.633 0.73 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 55.0 Cg_endo -69.62 -23.34 31.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -51.09 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' VAL . 37.9 m -50.68 -47.93 58.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 84.3 t -36.52 -63.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 55' ' ' LEU . 2.4 tt -42.67 -63.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CD2' ' CD2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -43.42 -44.73 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -55.08 -45.66 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -64.07 -52.18 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 51' ' ' LEU . 46.5 mt -42.07 -56.51 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' A' ' 19' ' ' GLU . 43.5 m95 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -106.03 138.8 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.51 -15.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -89.82 -28.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 4.1 pt-20 -88.93 -43.88 10.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.72 -38.11 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ILE . 4.8 pt-20 -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 24.9 mm -63.25 -62.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CG ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -36.59 -57.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -47.92 -50.1 27.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' LYS . 4.5 m-20 -65.47 -60.48 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -35.47 -62.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -39.49 -43.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -53.73 -44.39 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.82 -40.67 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.5 m-70 -133.24 82.52 53.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 137.0 34.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 61.64 42.08 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -134.36 74.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLY . 28.0 m-85 -59.15 -64.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.65 -48.0 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD13 ' CG ' ' A' ' 30' ' ' HIS . 3.8 tt -63.5 -58.65 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.61 -47.35 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.95 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -48.16 -53.62 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -52.86 -60.89 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.01 141.53 57.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.3 pt-20 -99.56 -42.21 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 13.1 mmt-85 -90.34 33.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 31.7 mmtm -148.3 127.81 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -94.41 175.1 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.62 -58.03 17.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 111.222 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.87 -2.25 9.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.278 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.53 -51.72 5.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -51.46 -39.98 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.98 -49.77 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -42.51 -49.89 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' CG ' ' A' ' 23' ' ' PHE . 80.7 t80 -55.53 -56.98 13.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -39.64 -37.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.22 -47.0 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.28 -57.65 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 44' ' ' LYS . 24.4 m95 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' GLU . 47.5 p -91.13 145.17 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.29 -25.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -85.09 -33.39 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' THR . 41.3 mt-10 -74.82 -38.53 62.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -70.88 -16.0 62.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.22 -63.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.1 mp -49.32 -41.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -49.9 -43.01 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.6 -46.05 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -43.22 -56.17 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -69.18 -50.98 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' LYS . 52.7 t80 -36.58 -44.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.32 -49.99 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CG ' HD22 ' A' ' 33' ' ' ASN . 2.3 t-80 -122.59 80.9 47.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.553 0.692 . . . . 0.0 110.799 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.27 46.57 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 54.69 34.03 20.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.444 HD22 ' CG ' ' A' ' 30' ' ' HIS . 61.8 t-20 -130.87 86.34 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -71.2 -35.52 71.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.22 -36.16 61.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -81.44 -59.79 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.309 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.7 mt -47.17 -53.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.941 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -52.66 -39.58 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -49.33 -30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -83.38 -47.18 11.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' A' ' 38' ' ' ALA . 4.9 mt -56.56 122.52 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.11 -35.54 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -101.87 -67.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 41' ' ' LEU . 1.8 tppt? -38.57 156.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.99 168.47 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.7 -58.7 14.34 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.64 0.733 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.72 -0.68 7.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.87 -32.59 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 34' ' ' PHE . 20.7 p -79.56 -39.52 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.1 t -34.24 -42.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' TYR . 4.3 mp -66.82 -61.79 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' LEU . 12.7 t80 -37.49 -56.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -40.38 -47.79 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -62.94 -56.44 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' CD2' ' H ' ' A' ' 55' ' ' LEU . 2.9 mm? -43.58 -51.31 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 179.897 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 19' ' ' GLU . 9.1 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 p -52.32 155.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.5 -46.29 27.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.33 -50.22 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 36.4 mm-40 -48.91 -59.13 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -55.96 -43.16 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 23.3 mt-10 -58.11 -45.55 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.37 -50.02 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.5 -47.4 57.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.85 -41.59 71.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -50.31 -57.29 8.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.802 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -64.96 -28.81 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -51.9 -46.68 64.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.98 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' CD ' ' HA ' ' A' ' 26' ' ' LYS . 3.1 pt20 -51.26 -55.4 18.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.647 ' CG ' HD13 ' A' ' 36' ' ' LEU . 98.1 m-70 -117.2 83.93 16.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.99 41.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 62.0 41.27 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.81 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -60.89 -57.56 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.01 -61.8 4.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' CG ' ' A' ' 30' ' ' HIS . 5.9 tt -37.81 -62.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 26' ' ' LYS . 58.3 mt -50.07 -54.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . . . -50.2 -49.59 52.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -39.36 -48.7 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -66.51 -51.53 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.56 92.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.34 -45.88 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -53.48 -61.47 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.86 176.2 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' ' CB ' ' A' ' 48' ' ' ASP . 1.1 t -125.22 159.74 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -46.03 -58.69 5.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 -3.44 12.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CB ' ' H ' ' A' ' 45' ' ' SER . 5.4 t0 -84.35 -42.34 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.14 -47.51 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 51' ' ' LEU . 5.5 p -38.99 -45.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 50' ' ' VAL . 9.9 mp -62.62 -48.07 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.807 ' HA ' HD12 ' A' ' 55' ' ' LEU . 58.3 t80 -46.41 -44.04 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.67 -44.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -64.5 -48.48 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 52' ' ' TYR . 11.5 mt -52.64 -46.39 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.482 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 34.0 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 p -101.21 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -48.87 -59.69 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.2 m80 -46.21 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 49.7 mt-10 -36.13 -48.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -59.97 -49.66 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -44.09 -49.01 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.669 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -62.7 -66.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.6 t80 -35.56 -47.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -45.41 -64.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.55 -41.78 86.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.05 -45.44 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -55.79 -58.56 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.44 -50.93 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -57.18 -59.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.61 ' CG ' HD23 ' A' ' 36' ' ' LEU . 1.8 p80 -128.94 83.12 67.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 145.48 57.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.779 2.319 . . . . 0.0 112.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 mttt 62.05 31.15 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -124.43 52.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 50' ' ' VAL . 40.3 m-85 -44.63 -27.94 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.61 -47.8 60.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD23 ' CG ' ' A' ' 30' ' ' HIS . 8.3 tp -70.44 -47.68 59.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.22 -55.99 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.23 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -41.52 -46.45 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -58.5 -60.89 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.692 HD22 ' HG3' ' A' ' 44' ' ' LYS . 4.5 mp -70.45 143.29 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -20.88 14.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -99.89 19.65 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.692 ' HG3' HD22 ' A' ' 41' ' ' LEU . 19.4 mmtp -136.9 123.44 20.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.6 178.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.46 -58.38 13.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.3 Cg_endo -69.69 -9.3 25.79 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -86.65 -15.95 38.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 m -92.87 -39.71 11.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 34' ' ' PHE . 83.0 t -53.77 -39.68 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -69.81 -54.31 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -42.38 -42.01 3.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -66.63 -57.83 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -53.44 -58.73 6.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mp -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.91 0.386 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 p -143.62 171.98 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 58.8 m-20 -62.97 -47.71 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' GLU . 17.0 m170 -57.91 -62.05 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HA ' HD13 ' A' ' 22' ' ' ILE . 44.5 mt-10 -34.51 -49.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 17' ' ' ASP . 6.1 mtpm? -44.7 -50.42 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.49 -42.71 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.1 mp -69.56 -51.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' CD1' ' A' ' 52' ' ' TYR . 40.5 t80 -50.95 -47.04 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -75.12 -49.92 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 7.2 t0 -38.56 -46.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 1.7 mptp? -75.21 -51.16 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -39.15 -47.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -52.17 -44.21 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.55 -36.48 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' HD22 ' A' ' 36' ' ' LEU . 11.9 m80 -133.7 80.51 55.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.29 66.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 63.56 25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -126.51 90.2 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 18.6 m-85 -77.06 -48.71 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.9 48.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 30' ' ' HIS . 13.5 tp -54.4 -53.99 46.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.4 mt -52.97 -46.62 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.93 -26.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 p -67.65 -49.89 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.8 m-85 -74.29 -33.65 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 12.5 mt -56.65 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 2.3 tt0 -83.6 29.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 11.7 mmm180 75.06 50.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -87.86 172.12 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 48' ' ' ASP . 3.8 m -76.86 158.74 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -66.92 -58.27 9.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.47 3.5 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-20 -88.28 -35.64 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 41' ' ' LEU . 86.2 m -77.68 -38.89 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -39.78 -53.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -48.98 -56.03 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 4.3 t80 -38.98 -56.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -40.97 -47.66 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.8 -56.28 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' THR . 3.4 mm? -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.7 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 4.1 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -133.7 -53.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.8 t60 -81.07 -52.88 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -44.93 -27.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 -30.51 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.9 OUTLIER -74.79 -23.58 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.48 -58.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -43.52 -44.72 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -56.04 -50.88 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.93 -62.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HD2' ' CD2' ' A' ' 40' ' ' TYR . 29.7 mmtt -38.68 -47.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.82 -61.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -41.29 -55.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -60.32 -58.07 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.672 ' CG ' HD23 ' A' ' 36' ' ' LEU . 26.6 m80 -112.11 81.0 3.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 139.17 39.81 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 63.88 37.64 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.36 84.54 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.0 -50.67 39.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.07 -49.1 69.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD23 ' CG ' ' A' ' 30' ' ' HIS . 9.9 tp -56.22 -59.01 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.52 -56.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.77 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -41.64 -47.21 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 79.4 m-85 -55.86 -49.98 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.63 77.2 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -53.13 -45.54 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -59.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 27.1 mttp -80.28 177.95 8.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.0 p -116.13 -179.86 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -63.08 -58.16 17.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -82.57 -36.78 25.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' VAL . 67.5 m -76.61 -38.72 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.6 t -36.8 -59.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.46 -50.3 68.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.6 t80 -45.58 -53.44 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -48.42 -54.15 15.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -58.63 -51.96 67.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 34.9 mt -49.42 -46.41 47.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 44' ' ' LYS . 40.1 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 p -115.86 171.1 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -57.35 -53.43 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 22' ' ' ILE . 41.0 m-70 -48.39 -52.12 23.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -54.86 -57.94 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -41.92 -53.07 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -39.24 -54.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.483 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.6 mp -61.68 -55.91 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -40.34 -50.63 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -59.39 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -54.74 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.18 -60.78 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 39.6 t80 -35.97 -52.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.95 -61.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.58 -50.8 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.686 ' CD2' ' CD2' ' A' ' 36' ' ' LEU . 41.6 m80 -118.82 87.78 33.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 131.85 22.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.773 2.315 . . . . 0.0 112.35 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? 64.03 38.25 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PHE . 4.7 m120 -119.37 41.65 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASN . 31.8 m-85 -37.73 -39.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.96 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 30' ' ' HIS . 24.1 tp -51.09 -44.32 61.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mt -55.45 -59.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -42.02 -55.66 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -40.35 -42.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CG ' ' HD2' ' A' ' 26' ' ' LYS . 34.7 m-85 -69.34 -47.84 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 38' ' ' ALA . 9.0 mt -50.11 162.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.91 -76.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -135.0 73.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -118.85 167.85 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -128.39 154.96 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.1 t -53.6 -57.38 17.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.85 -7.72 21.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.03 -44.04 12.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.04 -43.84 95.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -48.62 -50.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.23 -58.48 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 56' ' ' THR . 38.6 t80 -48.25 -55.32 10.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -48.65 -41.6 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.61 -48.45 72.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.09 -45.18 83.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 71.4 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 9.0 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ASP . 41.4 p -106.61 141.67 37.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' THR . 46.5 m-20 -38.34 -44.79 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -53.66 -54.7 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.1 mm-40 -58.05 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' NZ ' ' CE1' ' A' ' 52' ' ' TYR . 18.8 mtpp -42.29 -57.25 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -42.73 -43.51 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 19' ' ' GLU . 20.0 mt -62.97 -51.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -50.81 -48.09 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -70.41 -42.61 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.29 -54.12 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HB2' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -66.13 -41.01 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -41.89 -49.41 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.81 -63.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.92 -40.35 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -134.98 84.93 36.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 140.85 43.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 59.26 38.36 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.92 58.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.1 m-85 -50.97 -40.3 57.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.7 -57.79 6.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 37' ' ' ILE . 5.5 tt -66.83 -55.11 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.526 ' N ' HD23 ' A' ' 36' ' ' LEU . 31.7 mt -40.37 -59.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.816 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -51.35 -42.47 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -39.19 -39.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -65.39 -50.17 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 38' ' ' ALA . 11.1 mt -48.71 142.16 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -46.52 8.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -94.31 -55.4 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.7 mmtm -53.62 138.79 33.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 m -105.07 175.81 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.95 -57.99 14.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.9 Cg_endo -69.84 -4.85 14.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.297 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.44 -43.54 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 51' ' ' LEU . 13.3 p -38.91 -39.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.039 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 55' ' ' LEU . 70.5 mt -49.55 -62.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.682 ' O ' HG22 ' A' ' 56' ' ' THR . 66.8 t80 -38.69 -58.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -42.78 -44.42 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.14 -50.35 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 51' ' ' LEU . 5.5 mp -57.31 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' TYR . 6.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.427 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 15.0 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -61.23 147.92 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 8.1 t0 -57.41 -27.78 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 22.9 m80 -78.0 -7.78 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.19 -53.5 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 17' ' ' ASP . 9.4 ptpt -53.69 -16.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' CG ' HD12 ' A' ' 22' ' ' ILE . 10.7 pt-20 -74.1 -40.41 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' HG3' ' A' ' 26' ' ' LYS . 5.2 mp -70.38 -46.73 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 37' ' ' ILE . 40.9 t80 -52.55 -40.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.94 -70.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' ILE . 6.2 t70 -52.93 -43.96 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.22 -54.99 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -43.43 -47.51 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 25' ' ' ASP . 40.1 mt -52.78 -64.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -36.47 -39.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 4.4 t-80 -159.0 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.73 167.11 25.33 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 40.6 44.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -128.84 70.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.6 -30.48 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.83 -63.92 2.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.8 tt -45.14 -53.37 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.517 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.0 mt -52.67 -52.46 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.07 81.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -40.17 -57.89 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -51.82 -45.4 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.725 HD13 ' HG3' ' A' ' 44' ' ' LYS . 22.5 mt -66.55 157.44 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -112.51 -41.06 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.1 45.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 41' ' ' LEU . 24.3 mmtm -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -95.67 158.93 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.88 -58.37 19.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -57.01 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.08 -46.98 17.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.0 p -40.96 -35.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.22 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -51.88 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -46.75 -30.14 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.21 -33.84 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.83 -45.07 13.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 16.8 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -118.52 161.99 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -48.52 -57.25 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.86 -44.46 39.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.506 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 21.7 mt-10 -60.2 -37.73 81.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -62.74 -58.66 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.79 -39.69 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.7 mt -62.68 -57.62 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -44.21 -51.73 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.8 -55.06 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 24.9 m-20 -36.94 -63.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 40' ' ' TYR . 5.8 mptt -62.07 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 57.6 t80 -34.73 -39.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.95 -61.51 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.47 -53.45 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -108.85 78.69 0.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.59 14.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.5 mttp 61.96 41.02 11.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.9 t-20 -125.96 35.87 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ASN . 9.4 m-85 -34.74 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ASN . . . -49.03 -52.57 21.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 36' ' ' LEU . 2.4 tt -79.38 -33.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.61 -36.62 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -57.57 -20.78 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -55.0 -58.29 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.572 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 50.4 m-85 -72.0 -31.72 66.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 38' ' ' ALA . 78.9 mt -51.79 -174.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -149.44 115.05 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 48.81 34.67 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 15' ' ' TRP . 30.8 mmtt -117.97 92.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.75 156.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -58.75 -58.43 19.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.602 0.715 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.4 Cg_endo -69.72 -14.07 35.7 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -24.09 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.9 m -84.73 -38.39 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -43.6 -48.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.55 -44.16 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.6 t80 -59.49 -48.52 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -51.34 -38.41 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -71.42 -65.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 52' ' ' TYR . 8.8 mt -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CZ2' ' HE3' ' A' ' 44' ' ' LYS . 57.3 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.7 p -125.53 160.38 29.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.97 -42.48 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 37.5 m170 -58.91 -42.53 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.625 ' HA ' HD13 ' A' ' 22' ' ' ILE . 1.1 mp0 -81.72 -18.77 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -70.65 -51.24 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 22' ' ' ILE . 3.4 pt-20 -43.99 -37.94 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 21' ' ' GLU . 4.7 mp -64.21 -58.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.09 -52.56 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.18 -56.77 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.6 t0 -61.21 -52.41 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 19.5 mmtm -47.18 -60.53 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -45.12 -55.03 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 25' ' ' ASP . 28.2 mt -47.14 -48.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -53.6 -44.99 69.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 33.1 m80 -155.13 105.03 2.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.2 Cg_endo -69.83 147.65 62.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.08 40.96 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' PHE . 3.6 m120 -123.36 43.6 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' ASN . 21.0 m-85 -36.53 -53.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.82 -55.92 18.52 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -55.16 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -47.88 -37.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.04 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -40.14 -51.13 2.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 69.5 m-85 -61.99 -50.61 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.71 98.88 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -51.24 42.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -53.15 -51.49 61.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 1.4 mmmp? -63.26 174.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.68 165.97 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.07 -58.53 14.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.8 0.8 5.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.55 -40.02 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' VAL . 34.2 m -65.41 -49.85 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 51' ' ' LEU . 4.2 p -36.42 -50.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' N ' HG13 ' A' ' 50' ' ' VAL . 4.4 mm? -47.61 -56.62 6.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HA ' HD12 ' A' ' 55' ' ' LEU . 19.9 t80 -39.64 -56.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -46.35 -48.07 18.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -57.93 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' TYR . 6.7 mt -55.39 -52.76 62.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.6 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -102.2 176.12 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' GLU . 13.0 m-70 -54.93 -70.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' HIS . 7.3 mm-40 -34.88 -52.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -48.74 -52.23 24.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -47.78 -61.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.4 mt -50.01 -63.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' HG21 ' A' ' 37' ' ' ILE . 2.3 t80 -47.02 -39.21 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -67.46 -38.95 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.69 -60.38 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -43.46 -60.56 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.7 t80 -35.31 -42.18 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.72 -48.09 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' LYS . 38.1 mt-30 -71.25 -48.62 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 2.2 t-80 -141.05 104.99 6.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.523 0.677 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 148.76 65.59 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 50.65 28.28 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -101.95 32.48 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' ASN . 43.9 m-85 -34.43 -42.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.31 -47.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -82.45 -50.68 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.327 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.1 mt -40.39 -42.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -54.22 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -40.9 -54.92 2.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.27 -54.77 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . 17.7 mt -71.75 94.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.57 -32.88 74.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.14 21.46 2.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 34.3 mmtm -142.5 -179.62 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -148.26 167.53 24.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.06 -58.69 17.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.7 -11.59 31.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.18 -27.98 22.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 p -94.08 -44.19 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 47' ' ' PRO . 12.6 p -44.04 -37.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.6 tp -79.33 -47.24 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.59 -43.67 56.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.67 -43.47 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.3 -48.8 78.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mp -46.05 -57.14 4.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.6 m95 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.805 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -110.96 177.43 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.36 -63.43 1.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -44.45 -55.49 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 mm-40 -40.58 -36.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.05 -67.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.37 -26.35 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 19' ' ' GLU . 56.4 mt -64.72 -58.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -47.91 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.87 -48.58 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -61.07 -44.16 97.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -44.97 -62.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.28 -61.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -48.52 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.629 ' CE1' HD23 ' A' ' 36' ' ' LEU . 1.8 p-80 -139.32 105.04 7.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.586 0.707 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 154.4 67.41 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.626 2.217 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 38.64 37.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -129.62 85.11 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' GLY . 64.1 m-85 -78.72 -54.07 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.92 -35.71 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' CE1' ' A' ' 30' ' ' HIS . 7.6 tp -80.74 -52.8 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.5 mt -47.11 -44.57 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.83 -39.89 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 m -50.04 -49.66 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 26' ' ' LYS . 40.5 m-85 -65.77 -38.47 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 19' ' ' GLU . 19.6 mt -54.27 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.98 102.02 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 mmt-85 62.51 47.26 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' CB ' HD13 ' A' ' 41' ' ' LEU . 37.3 mmtm -123.03 85.91 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -40.15 154.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 47' ' ' PRO . 1.9 t -55.29 -58.63 14.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.147 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' N ' HG12 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -5.38 16.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.73 2.287 . . . . 0.0 112.304 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.0 -46.74 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.4 p -62.83 -34.21 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -40.91 -47.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -46.27 -55.05 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' CZ ' HG21 ' A' ' 56' ' ' THR . 91.3 t80 -46.45 -49.42 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -53.48 -48.67 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -55.14 -49.42 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.07 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 30.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 48.5 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.1 p -124.59 161.61 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -42.3 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . 38.6 m80 -51.2 -55.39 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -57.14 -57.11 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLU . 62.3 mttp -37.48 -52.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -40.86 -60.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -53.48 -55.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.78 -55.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -61.29 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 27.5 t0 -43.85 -44.22 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -49.32 59.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -49.4 -44.55 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.8 -23.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.6 -64.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.97 78.61 1.32 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.548 0.689 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 146.61 60.34 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.591 2.194 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt 57.61 40.22 26.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -127.48 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -39.83 -44.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.95 -40.94 51.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tp -80.64 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.79 -41.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.14 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -43.07 -44.24 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -65.72 -49.69 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.74 95.52 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 6.8 pt-20 -64.47 -40.61 96.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 1.6 tpt180 -45.45 -49.15 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 mptp? -100.51 -175.79 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -142.77 -175.74 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' HA2' ' A' ' 35' ' ' GLY . 2.0 t -54.38 -58.53 13.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.81 -44.73 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.12 -15.38 9.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.2 -40.74 13.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.98 -44.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.44 -56.81 6.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -53.12 -58.14 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -38.85 -43.93 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.24 -61.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' THR . 52.1 mt -45.16 -42.73 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.8 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -91.77 -52.45 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -69.43 115.37 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.59 -72.85 0.7 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -102.55 95.71 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -65.43 -49.06 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.67 -89.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.97 41.05 4.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.802 0.334 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -62.4 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.56 134.15 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -66.2 108.5 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.8 mmt -113.28 112.42 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -108.32 79.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 16' ' ' THR . 6.0 p -154.33 135.05 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -55.83 118.3 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 14' ' ' VAL . 81.6 p -112.98 162.76 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.95 -55.78 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -47.9 -43.89 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.78 -57.32 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -45.38 -51.3 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.89 -43.0 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.75 -42.71 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.12 -39.47 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.86 -45.43 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.43 -56.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' PHE . 7.5 mptt -71.33 -48.46 50.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.9 t80 -36.04 -52.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -51.03 -49.91 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -71.48 -66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -107.77 77.16 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 149.5 66.55 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt 61.16 27.85 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -125.73 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.984 ' CE2' HG23 ' A' ' 50' ' ' VAL . 28.0 m-85 -75.78 -18.44 59.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.83 83.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . 12.7 tp -91.1 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mt -39.8 -32.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.09 -38.11 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 15.3 t -52.94 -40.09 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.26 -44.15 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.21 78.73 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.97 -44.58 67.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -52.18 -27.19 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -112.31 159.87 18.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 178.44 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -65.17 -58.26 12.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.73 -35.05 15.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.88 -39.48 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.984 HG23 ' CE2' ' A' ' 34' ' ' PHE . 5.4 p -39.61 -34.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.77 -54.92 31.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -41.82 -52.64 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -44.97 -36.44 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -78.24 -49.23 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -49.01 -48.51 43.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.1 m -70.25 -23.74 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -115.08 44.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -105.27 109.88 22.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -120.43 168.52 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -99.34 100.95 12.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -139.53 111.26 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -139.11 131.07 27.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.1 114.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -161.55 124.33 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -64.11 142.28 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.64 122.13 1.49 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.4 41.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -77.29 169.09 18.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -47.65 -43.23 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -44.3 160.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtt -43.9 157.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -127.35 172.51 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 16' ' ' THR . 8.0 p -118.44 139.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -47.15 108.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 14' ' ' VAL . 23.6 p -119.33 -74.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.53 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -58.33 -58.04 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.5 mm-40 -47.38 -42.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -58.74 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.74 -54.25 49.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' GLU . 54.7 mt -43.13 -59.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -46.0 -48.43 16.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -52.06 -58.5 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HD3' ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -53.05 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -42.03 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -44.02 -53.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.55 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 61.0 m80 -112.02 81.59 3.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 144.07 52.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mttp 62.13 33.09 17.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.95 103.95 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -78.47 -48.78 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.46 -52.26 49.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -52.12 -62.31 1.72 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.7 mt -46.48 -45.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.31 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -44.03 -52.62 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 78.6 m-85 -57.86 -49.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.21 130.96 42.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.2 pt-20 -96.03 -44.37 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 41.1 mtt180 -87.91 37.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -146.45 168.42 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 m -125.19 -178.3 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.91 -58.3 8.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.01 -42.06 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 m -59.89 -46.29 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.8 t -41.51 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -44.21 -53.96 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -55.59 -57.31 12.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -43.74 -41.97 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -64.66 -54.16 36.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.0 mt -56.1 -41.42 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -45.72 -52.31 11.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -95.53 28.21 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -112.67 -56.32 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 41.32 42.24 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -79.88 -40.45 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -130.63 104.84 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 61.17 42.86 11.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 74.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 m -79.73 164.93 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -131.97 131.73 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.53 -165.24 1.39 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -99.16 95.18 6.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -120.54 85.35 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 41.91 45.6 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -116.07 135.46 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -120.81 129.96 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -121.62 85.6 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 15' ' ' TRP . 29.3 m -65.03 -44.42 95.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' N ' HG23 ' A' ' 14' ' ' VAL . 28.5 m95 -51.33 118.97 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.16 177.97 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.4 -8.52 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.811 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.89 -18.2 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -103.83 -45.11 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -15.96 53.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 -18.99 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' HG3' ' A' ' 26' ' ' LYS . 17.8 mm -74.53 -57.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -44.59 -47.39 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.39 -63.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -55.84 -55.33 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' A' ' 22' ' ' ILE . 24.0 mmtm -46.39 -29.1 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.08 -54.53 12.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.4 mp -56.87 -51.21 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 20.8 pt20 -61.42 -51.71 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 65.5 m-70 -133.5 78.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.61 60.8 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.756 2.304 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp 60.44 36.16 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -127.74 49.96 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -38.53 -32.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.11 -52.03 35.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' CD2' ' CG ' ' A' ' 30' ' ' HIS . 10.0 tp -71.62 -34.97 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.512 HG23 ' CB ' ' A' ' 26' ' ' LYS . 43.1 mt -66.58 -43.27 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.03 50.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -64.35 -27.14 68.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 11.4 m-85 -92.14 -18.72 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD21 ' HB ' ' A' ' 22' ' ' ILE . 17.7 mt -104.27 86.19 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.69 -36.37 80.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -48.43 -59.29 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -103.13 130.28 50.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 48' ' ' ASP . 45.8 m -71.19 -179.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.83 -58.05 21.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.4 Cg_endo -69.82 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . 2.7 m-20 -87.93 -41.65 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.15 -24.17 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' TYR . 40.3 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.5 mm? -42.37 -42.88 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' THR . 16.3 t80 -68.16 -35.39 77.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.9 t80 -62.79 -31.07 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -77.35 -39.31 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -57.01 -49.9 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 52' ' ' TYR . 23.0 p -52.46 -19.16 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 36.0 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -55.5 -50.85 68.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -45.79 157.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -91.83 -38.08 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -149.99 131.24 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -126.64 158.53 36.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.09 178.95 28.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.8 t -115.79 83.86 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.0 m 35.15 41.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.57 108.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.18 144.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -40.3 123.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 51.58 47.38 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -99.97 114.4 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.8 mmt -52.1 119.38 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -113.91 101.74 9.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -131.59 134.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 19' ' ' GLU . 58.3 m95 -44.09 142.9 1.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -128.34 164.98 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -48.03 -51.0 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -49.05 -30.55 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 36.8 mm-40 -87.06 -45.15 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -55.36 -41.51 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -22.73 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.56 HG21 HD21 ' A' ' 41' ' ' LEU . 77.4 mt -84.0 -32.82 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.71 -37.64 59.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 5.5 ptmm? -70.7 -35.41 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 13.5 t70 -62.63 -63.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -55.29 -42.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.48 -51.42 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.15 -59.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -58.56 -63.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CG ' ' HG ' ' A' ' 36' ' ' LEU . 15.8 m80 -112.09 80.45 3.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 149.06 66.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.617 2.211 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 58.89 29.99 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.4 84.79 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.13 -50.78 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -45.45 -50.6 10.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -53.77 -60.01 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.13 -61.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.31 16.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -54.88 -49.61 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.466 ' HE1' HD11 ' A' ' 36' ' ' LEU . 14.3 m-85 -57.48 -56.47 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.56 HD21 HG21 ' A' ' 22' ' ' ILE . 37.1 mt -66.59 146.87 54.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -108.76 -25.32 10.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.47 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HE3' ' CE2' ' A' ' 15' ' ' TRP . 63.0 mmtt -67.46 174.17 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.33 177.96 7.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.87 -58.71 7.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.701 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -10.23 28.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.27 -37.55 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 50' ' ' VAL . 19.6 p -72.88 -45.6 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG1' ' CE1' ' A' ' 54' ' ' TYR . 55.7 t -40.66 -45.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -47.57 -44.81 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.98 -54.18 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -46.77 -39.19 11.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.467 ' CE1' ' CG1' ' A' ' 50' ' ' VAL . 3.7 m-85 -58.43 -50.8 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.01 -58.52 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' LYS . 31.4 p -56.08 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.2 tttm -35.04 -44.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.16 149.98 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.49 103.85 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -125.29 106.74 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -166.15 126.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -132.73 166.67 21.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.08 101.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -90.38 -52.78 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -140.69 131.36 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.72 83.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -169.81 123.47 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -150.55 174.76 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -69.84 133.7 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -132.1 158.52 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 ptt? -159.19 177.01 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -51.06 94.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 12' ' ' MET . 78.8 t -84.16 -48.48 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CG ' ' CD1' ' A' ' 52' ' ' TYR . 1.9 m95 -63.91 117.28 6.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -134.37 -75.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.571 ' H ' HG23 ' A' ' 16' ' ' THR . 63.9 m-20 -130.42 -60.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -81.86 -24.68 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 4.3 mp0 -79.23 -35.73 41.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.68 -45.55 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 9.7 pt-20 -49.59 -46.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 92.3 mt -52.87 -60.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.7 -63.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -44.95 -59.17 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -40.02 -61.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE2' ' CG ' ' A' ' 40' ' ' TYR . 4.6 mptt -43.91 -60.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 20.8 t80 -41.23 -35.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.4 mm -61.91 -43.84 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.68 -57.7 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -128.77 80.86 71.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 53.7 Cg_endo -69.74 170.83 15.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 55.5 44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -160.23 113.08 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 70.6 m-85 -79.9 -60.63 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . . . -36.38 -68.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.0 tt -38.19 -53.59 1.43 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -52.73 -49.62 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.47 81.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -42.37 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 46.6 m-85 -52.56 -52.93 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.656 HD13 ' HD2' ' A' ' 44' ' ' LYS . 6.2 mt -63.52 144.77 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.42 -35.25 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 14.0 mtp-105 -88.82 32.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.656 ' HD2' HD13 ' A' ' 41' ' ' LEU . 44.1 mttp -150.76 163.96 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -118.85 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 47' ' ' PRO . 2.0 t -61.7 -58.57 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.617 0.723 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' N ' HG12 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -85.46 -39.94 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 86.9 t -38.63 -61.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 55' ' ' LEU . 34.9 mt -44.68 -51.19 9.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' CG ' ' A' ' 15' ' ' TRP . 84.7 t80 -52.72 -56.56 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.6 -47.28 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.49 -59.89 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 51' ' ' LEU . 8.8 mp -39.49 -59.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p -44.06 -57.17 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -53.56 -45.89 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -147.88 138.54 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -46.8 -52.15 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.08 140.95 23.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -154.55 131.76 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -110.17 113.34 25.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 64.65 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -155.47 132.57 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.61 -61.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.48 72.42 0.15 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -111.61 -44.77 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -167.12 128.12 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' PHE . 80.3 mt-30 -130.48 125.82 35.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.4 t80 -35.8 -46.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -138.11 153.22 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -88.51 99.67 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.63 131.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.8 m95 -51.46 146.61 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -128.45 169.91 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.49 -58.58 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -45.04 -49.33 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.9 -44.73 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.45 -61.65 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -40.82 -45.76 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.796 HG22 ' NZ ' ' A' ' 26' ' ' LYS . 49.3 mt -69.54 -54.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 3.4 t80 -40.56 -47.79 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -79.58 -27.57 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.19 -38.06 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.796 ' NZ ' HG22 ' A' ' 22' ' ' ILE . 1.9 mppt? -88.27 -40.55 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -41.29 -44.1 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.84 -52.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -63.8 -51.35 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 33.5 m-70 -129.96 79.18 73.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 159.03 55.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttm 62.01 31.74 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.65 109.12 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.9 m-85 -83.17 -60.74 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.81 -47.7 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 30' ' ' HIS . 5.4 tp -61.97 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 ' HE2' ' A' ' 26' ' ' LYS . 72.3 mt -63.01 -62.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.02 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -42.4 -53.65 4.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' CD1' ' HE3' ' A' ' 26' ' ' LYS . 68.9 m-85 -60.94 -44.57 97.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -85.12 101.8 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -54.93 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -41.88 -50.3 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 61.8 mmtt -74.29 174.69 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -135.52 169.07 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.03 -58.6 18.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.633 0.73 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 55.0 Cg_endo -69.62 -23.34 31.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -51.09 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' VAL . 37.9 m -50.68 -47.93 58.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 84.3 t -36.52 -63.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 55' ' ' LEU . 2.4 tt -42.67 -63.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CD2' ' CD2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -43.42 -44.73 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -55.08 -45.66 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -64.07 -52.18 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 51' ' ' LEU . 46.5 mt -42.07 -56.51 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p -62.03 -42.59 99.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.0 -45.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -118.57 126.84 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.21 166.8 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.75 94.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -140.51 140.3 35.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.813 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 57.67 44.32 20.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.13 54.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 89.1 p -49.54 101.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.788 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 57.18 40.32 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.22 -46.13 1.75 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.31 -45.73 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.65 159.5 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 11' ' ' PHE . 72.7 mm-40 -117.84 120.95 39.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' GLN . 13.2 m-85 35.52 43.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 mmt -93.84 46.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -174.89 106.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.8 t -48.22 -58.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' A' ' 19' ' ' GLU . 43.5 m95 -48.31 135.91 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -106.03 138.8 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.51 -15.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -89.82 -28.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 4.1 pt-20 -88.93 -43.88 10.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.72 -38.11 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ILE . 4.8 pt-20 -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 24.9 mm -63.25 -62.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CG ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -36.59 -57.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -47.92 -50.1 27.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' LYS . 4.5 m-20 -65.47 -60.48 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -35.47 -62.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -39.49 -43.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -53.73 -44.39 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.82 -40.67 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.5 m-70 -133.24 82.52 53.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 137.0 34.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 61.64 42.08 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -134.36 74.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLY . 28.0 m-85 -59.15 -64.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.65 -48.0 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD13 ' CG ' ' A' ' 30' ' ' HIS . 3.8 tt -63.5 -58.65 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.61 -47.35 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.95 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -48.16 -53.62 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -52.86 -60.89 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.01 141.53 57.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.3 pt-20 -99.56 -42.21 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 13.1 mmt-85 -90.34 33.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 31.7 mmtm -148.3 127.81 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -94.41 175.1 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.62 -58.03 17.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 111.222 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.87 -2.25 9.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.278 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.53 -51.72 5.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -51.46 -39.98 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.98 -49.77 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -42.51 -49.89 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' CG ' ' A' ' 23' ' ' PHE . 80.7 t80 -55.53 -56.98 13.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -39.64 -37.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.22 -47.0 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.28 -57.65 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -39.1 -33.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -86.86 -43.52 12.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -88.48 102.45 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -146.97 140.93 25.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -74.84 157.62 34.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -110.58 159.49 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -151.52 163.0 40.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.92 84.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -107.83 170.35 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 19.9 m -47.04 141.8 3.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.31 119.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -108.93 119.49 39.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -48.39 170.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' PHE . 13.5 mm100 -117.85 41.0 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m-85 -35.34 -46.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtt -150.13 119.52 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.78 92.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.16 -38.81 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 44' ' ' LYS . 24.4 m95 -112.72 127.22 56.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' GLU . 47.5 p -91.13 145.17 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.29 -25.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -85.09 -33.39 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' THR . 41.3 mt-10 -74.82 -38.53 62.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -70.88 -16.0 62.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.22 -63.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.1 mp -49.32 -41.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -49.9 -43.01 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.6 -46.05 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -43.22 -56.17 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -69.18 -50.98 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' LYS . 52.7 t80 -36.58 -44.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.32 -49.99 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CG ' HD22 ' A' ' 33' ' ' ASN . 2.3 t-80 -122.59 80.9 47.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.553 0.692 . . . . 0.0 110.799 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.27 46.57 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 54.69 34.03 20.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.444 HD22 ' CG ' ' A' ' 30' ' ' HIS . 61.8 t-20 -130.87 86.34 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -71.2 -35.52 71.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.22 -36.16 61.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -81.44 -59.79 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.309 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.7 mt -47.17 -53.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.941 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -52.66 -39.58 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -49.33 -30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -83.38 -47.18 11.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' A' ' 38' ' ' ALA . 4.9 mt -56.56 122.52 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.11 -35.54 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -101.87 -67.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 41' ' ' LEU . 1.8 tppt? -38.57 156.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.99 168.47 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.7 -58.7 14.34 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.64 0.733 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.72 -0.68 7.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.87 -32.59 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 34' ' ' PHE . 20.7 p -79.56 -39.52 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.1 t -34.24 -42.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' TYR . 4.3 mp -66.82 -61.79 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' LEU . 12.7 t80 -37.49 -56.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -40.38 -47.79 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -62.94 -56.44 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' CD2' ' H ' ' A' ' 55' ' ' LEU . 2.9 mm? -43.58 -51.31 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -50.34 -57.89 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -39.26 -46.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -173.55 175.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -88.96 130.19 35.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -41.02 107.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -99.03 -55.44 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -50.52 -62.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.28 103.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -101.8 -59.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m 57.85 42.4 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.7 107.75 3.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.62 128.2 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.815 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -108.46 -44.61 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 9.4 mm-40 -111.31 84.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -158.5 168.57 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 37.3 ttp -124.76 149.09 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 12' ' ' MET . 14.8 p-10 -156.57 155.97 32.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -119.74 -54.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 19' ' ' GLU . 9.1 m95 -57.67 100.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 p -52.32 155.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.5 -46.29 27.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.33 -50.22 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 36.4 mm-40 -48.91 -59.13 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -55.96 -43.16 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 23.3 mt-10 -58.11 -45.55 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.37 -50.02 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.5 -47.4 57.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.85 -41.59 71.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -50.31 -57.29 8.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.802 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -64.96 -28.81 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -51.9 -46.68 64.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.98 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' CD ' ' HA ' ' A' ' 26' ' ' LYS . 3.1 pt20 -51.26 -55.4 18.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.647 ' CG ' HD13 ' A' ' 36' ' ' LEU . 98.1 m-70 -117.2 83.93 16.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.99 41.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 62.0 41.27 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.81 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -60.89 -57.56 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.01 -61.8 4.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' CG ' ' A' ' 30' ' ' HIS . 5.9 tt -37.81 -62.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 26' ' ' LYS . 58.3 mt -50.07 -54.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . . . -50.2 -49.59 52.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -39.36 -48.7 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -66.51 -51.53 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.56 92.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.34 -45.88 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -53.48 -61.47 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.86 176.2 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' ' CB ' ' A' ' 48' ' ' ASP . 1.1 t -125.22 159.74 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -46.03 -58.69 5.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 -3.44 12.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CB ' ' H ' ' A' ' 45' ' ' SER . 5.4 t0 -84.35 -42.34 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.14 -47.51 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 51' ' ' LEU . 5.5 p -38.99 -45.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 50' ' ' VAL . 9.9 mp -62.62 -48.07 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.807 ' HA ' HD12 ' A' ' 55' ' ' LEU . 58.3 t80 -46.41 -44.04 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.67 -44.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -64.5 -48.48 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 52' ' ' TYR . 11.5 mt -52.64 -46.39 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -128.96 73.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 58' ' ' LYS . 1.4 pptp? -92.52 -15.07 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' CB ' ' HD2' ' A' ' 57' ' ' LYS . 37.0 tttm -158.38 126.7 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.84 101.32 6.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.96 169.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.9 m -34.63 143.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -110.23 161.48 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.54 89.88 1.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 p -163.1 146.58 10.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -119.82 42.21 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.793 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 52.9 3.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -119.0 138.53 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -150.16 119.74 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -87.88 151.97 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -118.24 -54.53 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -148.86 115.18 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -103.33 101.13 11.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.7 m -85.96 -177.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.482 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 34.0 m95 -115.39 129.57 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 p -101.21 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -48.87 -59.69 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.2 m80 -46.21 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 49.7 mt-10 -36.13 -48.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -59.97 -49.66 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -44.09 -49.01 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.669 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -62.7 -66.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.6 t80 -35.56 -47.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -45.41 -64.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.55 -41.78 86.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.05 -45.44 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -55.79 -58.56 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.44 -50.93 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -57.18 -59.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.61 ' CG ' HD23 ' A' ' 36' ' ' LEU . 1.8 p80 -128.94 83.12 67.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 145.48 57.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.779 2.319 . . . . 0.0 112.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 mttt 62.05 31.15 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -124.43 52.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 50' ' ' VAL . 40.3 m-85 -44.63 -27.94 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.61 -47.8 60.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD23 ' CG ' ' A' ' 30' ' ' HIS . 8.3 tp -70.44 -47.68 59.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.22 -55.99 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.23 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -41.52 -46.45 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -58.5 -60.89 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.692 HD22 ' HG3' ' A' ' 44' ' ' LYS . 4.5 mp -70.45 143.29 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -20.88 14.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -99.89 19.65 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.692 ' HG3' HD22 ' A' ' 41' ' ' LEU . 19.4 mmtp -136.9 123.44 20.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.6 178.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.46 -58.38 13.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.3 Cg_endo -69.69 -9.3 25.79 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -86.65 -15.95 38.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 m -92.87 -39.71 11.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 34' ' ' PHE . 83.0 t -53.77 -39.68 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -69.81 -54.31 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -42.38 -42.01 3.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -66.63 -57.83 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -53.44 -58.73 6.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mp -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -87.91 26.07 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' THR . 19.7 pttm -34.61 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 56.0 55.07 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -81.78 93.25 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -108.01 44.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -45.34 -58.91 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 54.06 34.43 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.89 145.59 17.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -107.38 113.59 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -72.15 -46.55 56.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.88 -155.77 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.74 107.45 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -99.25 41.38 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ARG . 19.6 mm-40 37.17 39.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -97.1 129.14 44.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.8 mtm -92.49 137.09 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -83.99 99.32 10.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' TRP . 9.2 p -82.62 -40.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.406 ' N ' HG13 ' A' ' 14' ' ' VAL . 24.6 m95 -57.72 173.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 p -143.62 171.98 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 58.8 m-20 -62.97 -47.71 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' GLU . 17.0 m170 -57.91 -62.05 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HA ' HD13 ' A' ' 22' ' ' ILE . 44.5 mt-10 -34.51 -49.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 17' ' ' ASP . 6.1 mtpm? -44.7 -50.42 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.49 -42.71 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.1 mp -69.56 -51.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' CD1' ' A' ' 52' ' ' TYR . 40.5 t80 -50.95 -47.04 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -75.12 -49.92 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 7.2 t0 -38.56 -46.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 1.7 mptp? -75.21 -51.16 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -39.15 -47.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -52.17 -44.21 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.55 -36.48 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' HD22 ' A' ' 36' ' ' LEU . 11.9 m80 -133.7 80.51 55.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.29 66.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 63.56 25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -126.51 90.2 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 18.6 m-85 -77.06 -48.71 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.9 48.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 30' ' ' HIS . 13.5 tp -54.4 -53.99 46.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.4 mt -52.97 -46.62 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.93 -26.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 p -67.65 -49.89 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.8 m-85 -74.29 -33.65 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 12.5 mt -56.65 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 2.3 tt0 -83.6 29.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 11.7 mmm180 75.06 50.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -87.86 172.12 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 48' ' ' ASP . 3.8 m -76.86 158.74 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -66.92 -58.27 9.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.47 3.5 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-20 -88.28 -35.64 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 41' ' ' LEU . 86.2 m -77.68 -38.89 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -39.78 -53.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -48.98 -56.03 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 4.3 t80 -38.98 -56.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -40.97 -47.66 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.8 -56.28 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' THR . 3.4 mm? -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.7 m -36.86 -50.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -175.01 119.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -100.77 108.2 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -102.87 117.21 34.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -128.39 126.06 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -78.7 166.46 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.817 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -51.81 173.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.04 177.61 17.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 p -141.2 129.07 21.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -98.02 149.93 21.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.86 96.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -46.35 76.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -54.94 134.91 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' PHE . 12.0 pt20 -49.49 -44.9 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 5.2 m-85 -112.64 157.57 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -125.19 83.72 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -126.82 130.32 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -119.49 -55.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 4.1 m95 -41.95 117.31 0.93 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -133.7 -53.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.8 t60 -81.07 -52.88 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -44.93 -27.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 -30.51 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.9 OUTLIER -74.79 -23.58 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.48 -58.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -43.52 -44.72 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -56.04 -50.88 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.93 -62.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HD2' ' CD2' ' A' ' 40' ' ' TYR . 29.7 mmtt -38.68 -47.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' CE2' ' OE2' ' A' ' 60' ' ' GLU . 50.6 t80 -52.82 -61.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -41.29 -55.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -60.32 -58.07 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.672 ' CG ' HD23 ' A' ' 36' ' ' LEU . 26.6 m80 -112.11 81.0 3.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 139.17 39.81 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 63.88 37.64 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.36 84.54 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.0 -50.67 39.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.07 -49.1 69.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD23 ' CG ' ' A' ' 30' ' ' HIS . 9.9 tp -56.22 -59.01 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.52 -56.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.77 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -41.64 -47.21 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 79.4 m-85 -55.86 -49.98 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.63 77.2 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -53.13 -45.54 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -59.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 27.1 mttp -80.28 177.95 8.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.0 p -116.13 -179.86 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -63.08 -58.16 17.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -82.57 -36.78 25.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' VAL . 67.5 m -76.61 -38.72 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.6 t -36.8 -59.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.46 -50.3 68.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.6 t80 -45.58 -53.44 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -48.42 -54.15 15.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -58.63 -51.96 67.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 34.9 mt -49.42 -46.41 47.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -127.96 73.51 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.56 -43.59 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -48.89 -38.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -46.79 -42.97 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' CE2' ' A' ' 27' ' ' PHE . 44.3 tt0 -118.13 101.62 8.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -135.04 120.95 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -119.7 169.84 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.61 104.39 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.434 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -90.55 80.45 6.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t 57.76 41.95 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.57 137.69 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.92 42.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -128.99 153.13 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -159.02 132.15 7.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -140.94 118.78 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -168.6 143.79 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -91.62 89.69 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 15' ' ' TRP . 27.1 m -64.41 -42.36 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 44' ' ' LYS . 40.1 m95 -53.78 115.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 p -115.86 171.1 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -57.35 -53.43 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 22' ' ' ILE . 41.0 m-70 -48.39 -52.12 23.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -54.86 -57.94 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -41.92 -53.07 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -39.24 -54.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.483 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.6 mp -61.68 -55.91 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -40.34 -50.63 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -59.39 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -54.74 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.18 -60.78 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 39.6 t80 -35.97 -52.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.95 -61.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.58 -50.8 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.686 ' CD2' ' CD2' ' A' ' 36' ' ' LEU . 41.6 m80 -118.82 87.78 33.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 131.85 22.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.773 2.315 . . . . 0.0 112.35 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? 64.03 38.25 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PHE . 4.7 m120 -119.37 41.65 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASN . 31.8 m-85 -37.73 -39.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.96 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 30' ' ' HIS . 24.1 tp -51.09 -44.32 61.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mt -55.45 -59.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -42.02 -55.66 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -40.35 -42.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CG ' ' HD2' ' A' ' 26' ' ' LYS . 34.7 m-85 -69.34 -47.84 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 38' ' ' ALA . 9.0 mt -50.11 162.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.91 -76.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -135.0 73.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -118.85 167.85 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -128.39 154.96 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.1 t -53.6 -57.38 17.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.85 -7.72 21.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.03 -44.04 12.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.04 -43.84 95.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -48.62 -50.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.23 -58.48 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 56' ' ' THR . 38.6 t80 -48.25 -55.32 10.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -48.65 -41.6 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.61 -48.45 72.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.09 -45.18 83.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 71.4 p -65.21 -46.05 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 21.4 mtpt -37.97 -43.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt 38.48 42.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -86.96 96.79 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.41 161.21 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -65.37 132.52 49.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -38.85 -48.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.3 82.22 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -106.22 91.82 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -88.07 161.01 17.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.06 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -111.07 41.67 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 4.7 mmm180 -126.74 126.01 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -155.77 126.54 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' CD2' ' HG2' ' A' ' 12' ' ' MET . 32.3 t80 -45.47 124.49 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.6 mmt 59.46 40.59 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -48.25 126.04 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 12' ' ' MET . 92.9 t -119.5 -42.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 9.0 m95 -54.78 145.0 20.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ASP . 41.4 p -106.61 141.67 37.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' THR . 46.5 m-20 -38.34 -44.79 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -53.66 -54.7 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.1 mm-40 -58.05 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' NZ ' ' CE1' ' A' ' 52' ' ' TYR . 18.8 mtpp -42.29 -57.25 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -42.73 -43.51 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 19' ' ' GLU . 20.0 mt -62.97 -51.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -50.81 -48.09 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -70.41 -42.61 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.29 -54.12 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HB2' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -66.13 -41.01 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -41.89 -49.41 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.81 -63.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.92 -40.35 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -134.98 84.93 36.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 140.85 43.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 59.26 38.36 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.92 58.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.1 m-85 -50.97 -40.3 57.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.7 -57.79 6.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 37' ' ' ILE . 5.5 tt -66.83 -55.11 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.526 ' N ' HD23 ' A' ' 36' ' ' LEU . 31.7 mt -40.37 -59.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.816 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -51.35 -42.47 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -39.19 -39.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -65.39 -50.17 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 38' ' ' ALA . 11.1 mt -48.71 142.16 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -46.52 8.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -94.31 -55.4 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.7 mmtm -53.62 138.79 33.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 m -105.07 175.81 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.95 -57.99 14.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.9 Cg_endo -69.84 -4.85 14.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.297 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.44 -43.54 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 51' ' ' LEU . 13.3 p -38.91 -39.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.039 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 55' ' ' LEU . 70.5 mt -49.55 -62.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.682 ' O ' HG22 ' A' ' 56' ' ' THR . 66.8 t80 -38.69 -58.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -42.78 -44.42 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.14 -50.35 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 51' ' ' LEU . 5.5 mp -57.31 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' TYR . 6.0 t -53.81 -40.54 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -50.78 -46.51 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -136.49 118.02 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -139.4 176.4 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -102.83 114.99 29.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -126.24 134.93 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -143.61 158.55 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.64 -107.51 0.48 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -52.39 126.23 18.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -159.04 159.98 35.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.16 40.24 3.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -131.38 168.95 16.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.741 0.305 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -96.09 46.06 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -135.51 160.18 39.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.87 119.18 20.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -59.76 156.86 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.83 130.06 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.65 132.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.427 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 15.0 m95 -90.57 106.04 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -61.23 147.92 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 8.1 t0 -57.41 -27.78 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 22.9 m80 -78.0 -7.78 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.19 -53.5 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 17' ' ' ASP . 9.4 ptpt -53.69 -16.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' CG ' HD12 ' A' ' 22' ' ' ILE . 10.7 pt-20 -74.1 -40.41 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' HG3' ' A' ' 26' ' ' LYS . 5.2 mp -70.38 -46.73 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 37' ' ' ILE . 40.9 t80 -52.55 -40.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.94 -70.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' ILE . 6.2 t70 -52.93 -43.96 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.22 -54.99 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -43.43 -47.51 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 25' ' ' ASP . 40.1 mt -52.78 -64.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -36.47 -39.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 4.4 t-80 -159.0 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.73 167.11 25.33 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 40.6 44.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -128.84 70.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.6 -30.48 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.83 -63.92 2.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.8 tt -45.14 -53.37 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.0 mt -52.67 -52.46 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.07 81.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -40.17 -57.89 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -51.82 -45.4 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.725 HD13 ' HG3' ' A' ' 44' ' ' LYS . 22.5 mt -66.55 157.44 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -112.51 -41.06 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.1 45.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 41' ' ' LEU . 24.3 mmtm -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -95.67 158.93 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.88 -58.37 19.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -57.01 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.08 -46.98 17.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.0 p -40.96 -35.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.22 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -51.88 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -46.75 -30.14 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' O ' ' CD ' ' A' ' 57' ' ' LYS . 1.7 t80 -70.21 -33.84 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.83 -45.07 13.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' LYS . 77.3 p -37.45 -35.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 54' ' ' TYR . 7.4 ptmm? -36.3 -43.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 85.01 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -123.93 159.61 29.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -119.19 -39.95 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.885 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -58.72 127.0 30.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m 51.68 41.97 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.38 159.8 20.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -51.45 -56.8 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -111.04 161.66 15.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 136.62 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.63 173.89 8.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -106.24 -44.25 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -86.17 151.93 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -141.85 126.03 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -121.21 144.99 48.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -72.42 109.13 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 p -149.4 137.84 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 16.8 m95 -111.4 154.1 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -118.52 161.99 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -48.52 -57.25 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.86 -44.46 39.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.506 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 21.7 mt-10 -60.2 -37.73 81.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -62.74 -58.66 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.79 -39.69 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.7 mt -62.68 -57.62 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -44.21 -51.73 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.8 -55.06 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 24.9 m-20 -36.94 -63.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 40' ' ' TYR . 5.8 mptt -62.07 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 57.6 t80 -34.73 -39.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.95 -61.51 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.47 -53.45 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -108.85 78.69 0.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.59 14.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.5 mttp 61.96 41.02 11.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.9 t-20 -125.96 35.87 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ASN . 9.4 m-85 -34.74 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ASN . . . -49.03 -52.57 21.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 36' ' ' LEU . 2.4 tt -79.38 -33.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.61 -36.62 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -57.57 -20.78 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -55.0 -58.29 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 50.4 m-85 -72.0 -31.72 66.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 38' ' ' ALA . 78.9 mt -51.79 -174.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -149.44 115.05 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 48.81 34.67 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 15' ' ' TRP . 30.8 mmtt -117.97 92.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.75 156.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -58.75 -58.43 19.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.602 0.715 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.4 Cg_endo -69.72 -14.07 35.7 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -24.09 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.9 m -84.73 -38.39 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -43.6 -48.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.55 -44.16 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.6 t80 -59.49 -48.52 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -51.34 -38.41 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -71.42 -65.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 52' ' ' TYR . 8.8 mt -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -46.25 -48.99 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.11 -45.29 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -143.79 121.98 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -48.53 138.76 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.08 125.6 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -47.57 154.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -44.12 106.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.02 70.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -159.09 159.88 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -155.09 131.14 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.32 97.85 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 10' ' ' GLN . 10.0 t0 -156.58 118.96 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' OE1' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -36.68 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' OE1' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -114.3 146.7 40.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -92.82 156.96 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.1 mmt -155.6 169.23 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.64 164.53 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.48 138.05 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CZ2' ' HE3' ' A' ' 44' ' ' LYS . 57.3 m95 -63.51 130.33 43.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.7 p -125.53 160.38 29.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.97 -42.48 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 37.5 m170 -58.91 -42.53 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.625 ' HA ' HD13 ' A' ' 22' ' ' ILE . 1.1 mp0 -81.72 -18.77 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -70.65 -51.24 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 22' ' ' ILE . 3.4 pt-20 -43.99 -37.94 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 21' ' ' GLU . 4.7 mp -64.21 -58.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.09 -52.56 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.18 -56.77 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.6 t0 -61.21 -52.41 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 19.5 mmtm -47.18 -60.53 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -45.12 -55.03 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 25' ' ' ASP . 28.2 mt -47.14 -48.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -53.6 -44.99 69.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 33.1 m80 -155.13 105.03 2.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.2 Cg_endo -69.83 147.65 62.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.08 40.96 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' PHE . 3.6 m120 -123.36 43.6 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' ASN . 21.0 m-85 -36.53 -53.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.82 -55.92 18.52 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -55.16 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -47.88 -37.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.04 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -40.14 -51.13 2.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 69.5 m-85 -61.99 -50.61 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.71 98.88 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -51.24 42.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -53.15 -51.49 61.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 1.4 mmmp? -63.26 174.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.68 165.97 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.07 -58.53 14.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.8 0.8 5.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.55 -40.02 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' VAL . 34.2 m -65.41 -49.85 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 51' ' ' LEU . 4.2 p -36.42 -50.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' N ' HG13 ' A' ' 50' ' ' VAL . 4.4 mm? -47.61 -56.62 6.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HA ' HD12 ' A' ' 55' ' ' LEU . 19.9 t80 -39.64 -56.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -46.35 -48.07 18.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -57.93 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' TYR . 6.7 mt -55.39 -52.76 62.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 p -56.24 -42.52 77.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.83 80.86 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -99.53 38.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.34 -44.94 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.33 131.6 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -112.78 130.05 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -92.93 -26.81 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 146.65 9.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 88.41 4.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -148.03 120.32 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.75 -105.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.11 134.31 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.81 148.05 38.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' PHE . 20.4 mp0 -140.08 115.18 9.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLN . 31.4 m-85 37.81 42.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -116.02 128.99 56.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -135.26 166.56 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.62 136.51 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.6 m95 -90.99 128.69 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -102.2 176.12 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' GLU . 13.0 m-70 -54.93 -70.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' HIS . 7.3 mm-40 -34.88 -52.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -48.74 -52.23 24.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -47.78 -61.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.4 mt -50.01 -63.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' HG21 ' A' ' 37' ' ' ILE . 2.3 t80 -47.02 -39.21 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -67.46 -38.95 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.69 -60.38 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -43.46 -60.56 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.7 t80 -35.31 -42.18 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.72 -48.09 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' LYS . 38.1 mt-30 -71.25 -48.62 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 2.2 t-80 -141.05 104.99 6.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.523 0.677 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 148.76 65.59 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 50.65 28.28 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -101.95 32.48 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' ASN . 43.9 m-85 -34.43 -42.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.31 -47.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -82.45 -50.68 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.327 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.1 mt -40.39 -42.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -54.22 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -40.9 -54.92 2.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.27 -54.77 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . 17.7 mt -71.75 94.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.57 -32.88 74.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.14 21.46 2.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 34.3 mmtm -142.5 -179.62 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -148.26 167.53 24.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.06 -58.69 17.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.7 -11.59 31.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.18 -27.98 22.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 p -94.08 -44.19 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 47' ' ' PRO . 12.6 p -44.04 -37.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.6 tp -79.33 -47.24 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.59 -43.67 56.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.67 -43.47 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.3 -48.8 78.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mp -46.05 -57.14 4.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.9 p -64.34 -38.82 92.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.4 tmtt? -36.19 -46.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -92.1 169.89 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.34 178.09 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -82.25 -39.67 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -90.13 134.89 33.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -133.62 118.3 18.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.29 85.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -63.82 148.93 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.799 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 t -43.09 -50.35 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 56.85 1.98 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.17 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -134.51 112.2 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -100.99 148.02 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -88.82 -47.76 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 mtp -106.81 172.27 6.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -87.8 141.61 28.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -155.94 133.11 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -81.47 143.48 32.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -110.96 177.43 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.36 -63.43 1.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -44.45 -55.49 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 mm-40 -40.58 -36.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.05 -67.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.37 -26.35 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 19' ' ' GLU . 56.4 mt -64.72 -58.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -47.91 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.87 -48.58 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -61.07 -44.16 97.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -44.97 -62.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.28 -61.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -48.52 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.629 ' CE1' HD23 ' A' ' 36' ' ' LEU . 1.8 p-80 -139.32 105.04 7.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.586 0.707 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 154.4 67.41 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.626 2.217 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 38.64 37.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -129.62 85.11 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' GLY . 64.1 m-85 -78.72 -54.07 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.92 -35.71 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' CE1' ' A' ' 30' ' ' HIS . 7.6 tp -80.74 -52.8 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.5 mt -47.11 -44.57 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.83 -39.89 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 m -50.04 -49.66 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 26' ' ' LYS . 40.5 m-85 -65.77 -38.47 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 19' ' ' GLU . 19.6 mt -54.27 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.98 102.02 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 mmt-85 62.51 47.26 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' CB ' HD13 ' A' ' 41' ' ' LEU . 37.3 mmtm -123.03 85.91 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -40.15 154.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 47' ' ' PRO . 1.9 t -55.29 -58.63 14.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.147 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' N ' HG12 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -5.38 16.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.73 2.287 . . . . 0.0 112.304 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.0 -46.74 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.4 p -62.83 -34.21 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -40.91 -47.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -46.27 -55.05 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' CZ ' HG21 ' A' ' 56' ' ' THR . 91.3 t80 -46.45 -49.42 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -53.48 -48.67 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -55.14 -49.42 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.07 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 30.4 p -49.56 -54.4 18.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -123.26 86.57 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -68.87 118.75 12.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.75 141.43 30.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -136.64 155.0 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -75.6 131.56 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -91.65 -49.18 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.2 149.09 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -107.17 -48.31 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -56.78 126.61 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.69 117.54 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -116.1 137.73 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -119.71 141.75 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' PHE . 4.3 tp-100 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' GLN . 11.6 p90 -35.49 104.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.6 ttt -83.18 41.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -170.97 128.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 15' ' ' TRP . 27.2 m -41.28 -40.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 48.5 m95 -57.94 134.88 56.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.1 p -124.59 161.61 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -42.3 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . 38.6 m80 -51.2 -55.39 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -57.14 -57.11 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLU . 62.3 mttp -37.48 -52.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -40.86 -60.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -53.48 -55.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.78 -55.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -61.29 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 27.5 t0 -43.85 -44.22 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -49.32 59.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -49.4 -44.55 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.8 -23.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.6 -64.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.97 78.61 1.32 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.548 0.689 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 146.61 60.34 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.591 2.194 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt 57.61 40.22 26.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -127.48 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -39.83 -44.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.95 -40.94 51.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tp -80.64 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.79 -41.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.14 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -43.07 -44.24 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -65.72 -49.69 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.74 95.52 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 6.8 pt-20 -64.47 -40.61 96.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 1.6 tpt180 -45.45 -49.15 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 mptp? -100.51 -175.79 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -142.77 -175.74 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' HA2' ' A' ' 35' ' ' GLY . 2.0 t -54.38 -58.53 13.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.81 -44.73 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.12 -15.38 9.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.2 -40.74 13.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.98 -44.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.44 -56.81 6.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -53.12 -58.14 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -38.85 -43.93 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.24 -61.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' THR . 52.1 mt -45.16 -42.73 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 20.8 m -36.06 -42.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 13.5 ptmt -35.04 -45.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -137.69 146.09 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -173.05 159.5 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -44.17 154.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.1 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.6 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.34 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 162.76 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.95 -55.78 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -47.9 -43.89 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.78 -57.32 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -45.38 -51.3 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.89 -43.0 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.75 -42.71 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.12 -39.47 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.86 -45.43 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.43 -56.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' PHE . 7.5 mptt -71.33 -48.46 50.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.9 t80 -36.04 -52.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -51.03 -49.91 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -71.48 -66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -107.77 77.16 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 149.5 66.55 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt 61.16 27.85 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -125.73 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.984 ' CE2' HG23 ' A' ' 50' ' ' VAL . 28.0 m-85 -75.78 -18.44 59.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.83 83.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . 12.7 tp -91.1 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mt -39.8 -32.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.09 -38.11 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 15.3 t -52.94 -40.09 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.26 -44.15 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.21 78.73 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.97 -44.58 67.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -52.18 -27.19 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -112.31 159.87 18.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 178.44 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -65.17 -58.26 12.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.73 -35.05 15.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.88 -39.48 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.984 HG23 ' CE2' ' A' ' 34' ' ' PHE . 5.4 p -39.61 -34.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.77 -54.92 31.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -41.82 -52.64 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -44.97 -36.44 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -78.24 -49.23 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -49.01 -48.51 43.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -119.33 -74.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.53 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -58.33 -58.04 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.5 mm-40 -47.38 -42.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -58.74 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.74 -54.25 49.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' GLU . 54.7 mt -43.13 -59.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -46.0 -48.43 16.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -52.06 -58.5 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HD3' ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -53.05 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -42.03 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -44.02 -53.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.55 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 61.0 m80 -112.02 81.59 3.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 144.07 52.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mttp 62.13 33.09 17.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.95 103.95 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -78.47 -48.78 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.46 -52.26 49.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -52.12 -62.31 1.72 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.7 mt -46.48 -45.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.31 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -44.03 -52.62 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 78.6 m-85 -57.86 -49.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.21 130.96 42.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.2 pt-20 -96.03 -44.37 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 41.1 mtt180 -87.91 37.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -146.45 168.42 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 m -125.19 -178.3 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.91 -58.3 8.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.01 -42.06 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 m -59.89 -46.29 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.8 t -41.51 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -44.21 -53.96 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -55.59 -57.31 12.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -43.74 -41.97 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -64.66 -54.16 36.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.0 mt -56.1 -41.42 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.433 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 28.5 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.16 177.97 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.4 -8.52 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.811 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.89 -18.2 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -103.83 -45.11 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -15.96 53.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 -18.99 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' HG3' ' A' ' 26' ' ' LYS . 17.8 mm -74.53 -57.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -44.59 -47.39 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.39 -63.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -55.84 -55.33 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' A' ' 22' ' ' ILE . 24.0 mmtm -46.39 -29.1 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.08 -54.53 12.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.4 mp -56.87 -51.21 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 20.8 pt20 -61.42 -51.71 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 65.5 m-70 -133.5 78.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.61 60.8 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.756 2.304 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp 60.44 36.16 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -127.74 49.96 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -38.53 -32.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.11 -52.03 35.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' CD2' ' CG ' ' A' ' 30' ' ' HIS . 10.0 tp -71.62 -34.97 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.512 HG23 ' CB ' ' A' ' 26' ' ' LYS . 43.1 mt -66.58 -43.27 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.03 50.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -64.35 -27.14 68.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 11.4 m-85 -92.14 -18.72 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD21 ' HB ' ' A' ' 22' ' ' ILE . 17.7 mt -104.27 86.19 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.69 -36.37 80.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -48.43 -59.29 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -103.13 130.28 50.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 48' ' ' ASP . 45.8 m -71.19 -179.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.83 -58.05 21.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.4 Cg_endo -69.82 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . 2.7 m-20 -87.93 -41.65 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.15 -24.17 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' TYR . 40.3 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.5 mm? -42.37 -42.88 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' THR . 16.3 t80 -68.16 -35.39 77.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.9 t80 -62.79 -31.07 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -77.35 -39.31 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -57.01 -49.9 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 52' ' ' TYR . 23.0 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 19' ' ' GLU . 58.3 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -128.34 164.98 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -48.03 -51.0 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 18' ' ' HIS . 32.4 m-70 -49.05 -30.55 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 36.8 mm-40 -87.06 -45.15 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -55.36 -41.51 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -22.73 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.56 HG21 HD21 ' A' ' 41' ' ' LEU . 77.4 mt -84.0 -32.82 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.71 -37.64 59.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 5.5 ptmm? -70.7 -35.41 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 13.5 t70 -62.63 -63.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -55.29 -42.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.48 -51.42 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.15 -59.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -58.56 -63.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CG ' ' HG ' ' A' ' 36' ' ' LEU . 15.8 m80 -112.09 80.45 3.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 149.06 66.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.617 2.211 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 58.89 29.99 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.4 84.79 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.13 -50.78 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -45.45 -50.6 10.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -53.77 -60.01 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.13 -61.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.31 16.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -54.88 -49.61 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.466 ' HE1' HD11 ' A' ' 36' ' ' LEU . 14.3 m-85 -57.48 -56.47 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.56 HD21 HG21 ' A' ' 22' ' ' ILE . 37.1 mt -66.59 146.87 54.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -108.76 -25.32 10.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.47 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HE3' ' CE2' ' A' ' 15' ' ' TRP . 63.0 mmtt -67.46 174.17 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.33 177.96 7.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.87 -58.71 7.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.701 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -10.23 28.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.27 -37.55 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 50' ' ' VAL . 19.6 p -72.88 -45.6 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG1' ' CE1' ' A' ' 54' ' ' TYR . 55.7 t -40.66 -45.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -47.57 -44.81 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.98 -54.18 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -46.77 -39.19 11.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.467 ' CE1' ' CG1' ' A' ' 50' ' ' VAL . 3.7 m-85 -58.43 -50.8 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.01 -58.52 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CG ' ' CD1' ' A' ' 52' ' ' TYR . 1.9 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.817 0.342 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -134.37 -75.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.571 ' H ' HG23 ' A' ' 16' ' ' THR . 63.9 m-20 -130.42 -60.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -81.86 -24.68 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 4.3 mp0 -79.23 -35.73 41.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.68 -45.55 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 9.7 pt-20 -49.59 -46.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 92.3 mt -52.87 -60.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.7 -63.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -44.95 -59.17 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -40.02 -61.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE2' ' CG ' ' A' ' 40' ' ' TYR . 4.6 mptt -43.91 -60.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 20.8 t80 -41.23 -35.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.4 mm -61.91 -43.84 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.68 -57.7 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -128.77 80.86 71.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 53.7 Cg_endo -69.74 170.83 15.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 55.5 44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -160.23 113.08 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 70.6 m-85 -79.9 -60.63 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . . . -36.38 -68.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.0 tt -38.19 -53.59 1.43 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -52.73 -49.62 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.47 81.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -42.37 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 46.6 m-85 -52.56 -52.93 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.656 HD13 ' HD2' ' A' ' 44' ' ' LYS . 6.2 mt -63.52 144.77 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.42 -35.25 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 14.0 mtp-105 -88.82 32.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.656 ' HD2' HD13 ' A' ' 41' ' ' LEU . 44.1 mttp -150.76 163.96 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -118.85 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 47' ' ' PRO . 2.0 t -61.7 -58.57 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.617 0.723 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' N ' HG12 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -85.46 -39.94 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 86.9 t -38.63 -61.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 55' ' ' LEU . 34.9 mt -44.68 -51.19 9.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' CG ' ' A' ' 15' ' ' TRP . 84.7 t80 -52.72 -56.56 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.6 -47.28 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.49 -59.89 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 51' ' ' LEU . 8.8 mp -39.49 -59.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -128.45 169.91 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.49 -58.58 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -45.04 -49.33 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.9 -44.73 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.45 -61.65 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -40.82 -45.76 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.796 HG22 ' NZ ' ' A' ' 26' ' ' LYS . 49.3 mt -69.54 -54.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 3.4 t80 -40.56 -47.79 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -79.58 -27.57 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.19 -38.06 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.796 ' NZ ' HG22 ' A' ' 22' ' ' ILE . 1.9 mppt? -88.27 -40.55 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -41.29 -44.1 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.84 -52.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -63.8 -51.35 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 33.5 m-70 -129.96 79.18 73.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 159.03 55.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttm 62.01 31.74 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.65 109.12 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.9 m-85 -83.17 -60.74 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.81 -47.7 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 30' ' ' HIS . 5.4 tp -61.97 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 ' HE2' ' A' ' 26' ' ' LYS . 72.3 mt -63.01 -62.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.02 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -42.4 -53.65 4.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' CD1' ' HE3' ' A' ' 26' ' ' LYS . 68.9 m-85 -60.94 -44.57 97.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -85.12 101.8 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -54.93 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -41.88 -50.3 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 61.8 mmtt -74.29 174.69 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -135.52 169.07 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.03 -58.6 18.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.633 0.73 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 55.0 Cg_endo -69.62 -23.34 31.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -51.09 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' VAL . 37.9 m -50.68 -47.93 58.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 84.3 t -36.52 -63.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 55' ' ' LEU . 2.4 tt -42.67 -63.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CD2' ' CD2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -43.42 -44.73 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -55.08 -45.66 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -64.07 -52.18 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 51' ' ' LEU . 46.5 mt -42.07 -56.51 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' A' ' 19' ' ' GLU . 43.5 m95 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.793 0.33 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -106.03 138.8 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.51 -15.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -89.82 -28.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 4.1 pt-20 -88.93 -43.88 10.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.72 -38.11 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ILE . 4.8 pt-20 -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 24.9 mm -63.25 -62.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CG ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -36.59 -57.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -47.92 -50.1 27.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' LYS . 4.5 m-20 -65.47 -60.48 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -35.47 -62.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -39.49 -43.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -53.73 -44.39 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.82 -40.67 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.5 m-70 -133.24 82.52 53.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 137.0 34.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 61.64 42.08 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -134.36 74.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLY . 28.0 m-85 -59.15 -64.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.65 -48.0 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD13 ' CG ' ' A' ' 30' ' ' HIS . 3.8 tt -63.5 -58.65 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.61 -47.35 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.95 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -48.16 -53.62 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -52.86 -60.89 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.01 141.53 57.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.3 pt-20 -99.56 -42.21 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 13.1 mmt-85 -90.34 33.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 31.7 mmtm -148.3 127.81 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -94.41 175.1 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.62 -58.03 17.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 111.222 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.87 -2.25 9.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.278 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.53 -51.72 5.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -51.46 -39.98 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.98 -49.77 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -42.51 -49.89 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' CG ' ' A' ' 23' ' ' PHE . 80.7 t80 -55.53 -56.98 13.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -39.64 -37.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.22 -47.0 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.28 -57.65 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 44' ' ' LYS . 24.4 m95 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' GLU . 47.5 p -91.13 145.17 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.29 -25.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -85.09 -33.39 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' THR . 41.3 mt-10 -74.82 -38.53 62.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -70.88 -16.0 62.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.22 -63.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.1 mp -49.32 -41.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -49.9 -43.01 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.6 -46.05 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -43.22 -56.17 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -69.18 -50.98 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' LYS . 52.7 t80 -36.58 -44.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.32 -49.99 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CG ' HD22 ' A' ' 33' ' ' ASN . 2.3 t-80 -122.59 80.9 47.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.553 0.692 . . . . 0.0 110.799 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.27 46.57 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 54.69 34.03 20.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.444 HD22 ' CG ' ' A' ' 30' ' ' HIS . 61.8 t-20 -130.87 86.34 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -71.2 -35.52 71.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.22 -36.16 61.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -81.44 -59.79 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.309 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.7 mt -47.17 -53.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.941 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -52.66 -39.58 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -49.33 -30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -83.38 -47.18 11.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' A' ' 38' ' ' ALA . 4.9 mt -56.56 122.52 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.11 -35.54 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -101.87 -67.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 41' ' ' LEU . 1.8 tppt? -38.57 156.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.99 168.47 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.7 -58.7 14.34 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.64 0.733 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.72 -0.68 7.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.87 -32.59 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 34' ' ' PHE . 20.7 p -79.56 -39.52 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.1 t -34.24 -42.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' TYR . 4.3 mp -66.82 -61.79 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' LEU . 12.7 t80 -37.49 -56.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -40.38 -47.79 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -62.94 -56.44 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' CD2' ' H ' ' A' ' 55' ' ' LEU . 2.9 mm? -43.58 -51.31 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 179.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 19' ' ' GLU . 9.1 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 p -52.32 155.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.5 -46.29 27.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.33 -50.22 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 36.4 mm-40 -48.91 -59.13 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -55.96 -43.16 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 23.3 mt-10 -58.11 -45.55 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.37 -50.02 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.5 -47.4 57.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.85 -41.59 71.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -50.31 -57.29 8.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.802 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -64.96 -28.81 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -51.9 -46.68 64.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.98 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' CD ' ' HA ' ' A' ' 26' ' ' LYS . 3.1 pt20 -51.26 -55.4 18.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.647 ' CG ' HD13 ' A' ' 36' ' ' LEU . 98.1 m-70 -117.2 83.93 16.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.99 41.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 62.0 41.27 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.81 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -60.89 -57.56 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.01 -61.8 4.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' CG ' ' A' ' 30' ' ' HIS . 5.9 tt -37.81 -62.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 26' ' ' LYS . 58.3 mt -50.07 -54.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . . . -50.2 -49.59 52.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -39.36 -48.7 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -66.51 -51.53 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.56 92.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.34 -45.88 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -53.48 -61.47 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.86 176.2 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' ' CB ' ' A' ' 48' ' ' ASP . 1.1 t -125.22 159.74 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -46.03 -58.69 5.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 -3.44 12.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CB ' ' H ' ' A' ' 45' ' ' SER . 5.4 t0 -84.35 -42.34 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.14 -47.51 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 51' ' ' LEU . 5.5 p -38.99 -45.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 50' ' ' VAL . 9.9 mp -62.62 -48.07 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.807 ' HA ' HD12 ' A' ' 55' ' ' LEU . 58.3 t80 -46.41 -44.04 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.67 -44.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -64.5 -48.48 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 52' ' ' TYR . 11.5 mt -52.64 -46.39 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.482 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 34.0 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 p -101.21 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -48.87 -59.69 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.2 m80 -46.21 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 49.7 mt-10 -36.13 -48.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -59.97 -49.66 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -44.09 -49.01 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.669 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -62.7 -66.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.6 t80 -35.56 -47.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -45.41 -64.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.55 -41.78 86.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.05 -45.44 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -55.79 -58.56 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.44 -50.93 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -57.18 -59.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.61 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.1 p-80 -128.94 83.12 67.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 145.48 57.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.779 2.319 . . . . 0.0 112.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 mttt 62.05 31.15 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -124.43 52.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 50' ' ' VAL . 40.3 m-85 -44.63 -27.94 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.61 -47.8 60.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD23 ' CG ' ' A' ' 30' ' ' HIS . 8.3 tp -70.44 -47.68 59.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.22 -55.99 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.23 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -41.52 -46.45 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -58.5 -60.89 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.692 HD22 ' HG3' ' A' ' 44' ' ' LYS . 4.5 mp -70.45 143.29 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -20.88 14.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -99.89 19.65 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.692 ' HG3' HD22 ' A' ' 41' ' ' LEU . 19.4 mmtp -136.9 123.44 20.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.6 178.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.46 -58.38 13.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.3 Cg_endo -69.69 -9.3 25.79 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -86.65 -15.95 38.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 m -92.87 -39.71 11.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 34' ' ' PHE . 83.0 t -53.77 -39.68 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -69.81 -54.31 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -42.38 -42.01 3.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -66.63 -57.83 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -53.44 -58.73 6.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mp -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.91 0.386 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 p -143.62 171.98 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 58.8 m-20 -62.97 -47.71 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' GLU . 17.0 m170 -57.91 -62.05 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HA ' HD13 ' A' ' 22' ' ' ILE . 44.5 mt-10 -34.51 -49.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 17' ' ' ASP . 6.1 mtpm? -44.7 -50.42 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.49 -42.71 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.1 mp -69.56 -51.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' CD1' ' A' ' 52' ' ' TYR . 40.5 t80 -50.95 -47.04 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -75.12 -49.92 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 7.2 t0 -38.56 -46.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 1.7 mptp? -75.21 -51.16 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -39.15 -47.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -52.17 -44.21 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.55 -36.48 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' HD22 ' A' ' 36' ' ' LEU . 11.9 m80 -133.7 80.51 55.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.29 66.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 63.56 25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -126.51 90.2 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 18.6 m-85 -77.06 -48.71 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.9 48.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 30' ' ' HIS . 13.5 tp -54.4 -53.99 46.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.4 mt -52.97 -46.62 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.93 -26.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 p -67.65 -49.89 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.8 m-85 -74.29 -33.65 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 12.5 mt -56.65 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 2.3 tt0 -83.6 29.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 11.7 mmm180 75.06 50.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -87.86 172.12 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 48' ' ' ASP . 3.8 m -76.86 158.74 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -66.92 -58.27 9.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.47 3.5 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-20 -88.28 -35.64 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 41' ' ' LEU . 86.2 m -77.68 -38.89 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -39.78 -53.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -48.98 -56.03 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 4.3 t80 -38.98 -56.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -40.97 -47.66 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.8 -56.28 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' THR . 3.4 mm? -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.7 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 4.1 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -133.7 -53.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.454 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 2.2 t-80 -81.07 -52.88 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -44.93 -27.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 -30.51 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 0.9 OUTLIER -74.79 -23.58 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.48 -58.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -43.52 -44.72 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -56.04 -50.88 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.93 -62.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HD2' ' CD2' ' A' ' 40' ' ' TYR . 29.7 mmtt -38.68 -47.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.82 -61.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -41.29 -55.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -60.32 -58.07 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.672 ' CG ' HD23 ' A' ' 36' ' ' LEU . 26.6 m80 -112.11 81.0 3.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 139.17 39.81 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 63.88 37.64 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.36 84.54 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.0 -50.67 39.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.07 -49.1 69.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD23 ' CG ' ' A' ' 30' ' ' HIS . 9.9 tp -56.22 -59.01 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.52 -56.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.77 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -41.64 -47.21 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 79.4 m-85 -55.86 -49.98 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.63 77.2 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -53.13 -45.54 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -59.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 27.1 mttp -80.28 177.95 8.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.0 p -116.13 -179.86 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -63.08 -58.16 17.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -82.57 -36.78 25.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' VAL . 67.5 m -76.61 -38.72 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.6 t -36.8 -59.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.46 -50.3 68.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.6 t80 -45.58 -53.44 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -48.42 -54.15 15.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -58.63 -51.96 67.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 34.9 mt -49.42 -46.41 47.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 44' ' ' LYS . 40.1 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 p -115.86 171.1 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -57.35 -53.43 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 22' ' ' ILE . 41.0 m-70 -48.39 -52.12 23.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -54.86 -57.94 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -41.92 -53.07 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -39.24 -54.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.483 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.6 mp -61.68 -55.91 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -40.34 -50.63 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -59.39 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -54.74 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.18 -60.78 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 39.6 t80 -35.97 -52.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.95 -61.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.58 -50.8 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.494 ' ND1' ' CD2' ' A' ' 36' ' ' LEU . 34.1 m-70 -118.82 87.78 33.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 131.85 22.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.773 2.315 . . . . 0.0 112.35 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? 64.03 38.25 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PHE . 4.7 m120 -119.37 41.65 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASN . 31.8 m-85 -37.73 -39.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.96 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' ND1' ' A' ' 30' ' ' HIS . 24.1 tp -51.09 -44.32 61.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mt -55.45 -59.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -42.02 -55.66 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -40.35 -42.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CG ' ' HD2' ' A' ' 26' ' ' LYS . 34.7 m-85 -69.34 -47.84 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 38' ' ' ALA . 9.0 mt -50.11 162.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.91 -76.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -135.0 73.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -118.85 167.85 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -128.39 154.96 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.1 t -53.6 -57.38 17.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.85 -7.72 21.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.03 -44.04 12.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.04 -43.84 95.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -48.62 -50.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.23 -58.48 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 56' ' ' THR . 38.6 t80 -48.25 -55.32 10.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -48.65 -41.6 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.61 -48.45 72.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.09 -45.18 83.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 71.4 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 9.0 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.867 0.365 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ASP . 41.4 p -106.61 141.67 37.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' THR . 46.5 m-20 -38.34 -44.79 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -53.66 -54.7 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.1 mm-40 -58.05 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' NZ ' ' CE1' ' A' ' 52' ' ' TYR . 18.8 mtpp -42.29 -57.25 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -42.73 -43.51 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 19' ' ' GLU . 20.0 mt -62.97 -51.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -50.81 -48.09 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -70.41 -42.61 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.29 -54.12 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HB2' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -66.13 -41.01 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -41.89 -49.41 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.81 -63.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.92 -40.35 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -134.98 84.93 36.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 140.85 43.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 59.26 38.36 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.92 58.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.1 m-85 -50.97 -40.3 57.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.7 -57.79 6.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 37' ' ' ILE . 5.5 tt -66.83 -55.11 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.526 ' N ' HD23 ' A' ' 36' ' ' LEU . 31.7 mt -40.37 -59.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.816 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -51.35 -42.47 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -39.19 -39.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -65.39 -50.17 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 38' ' ' ALA . 11.1 mt -48.71 142.16 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -46.52 8.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -94.31 -55.4 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.7 mmtm -53.62 138.79 33.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 m -105.07 175.81 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.95 -57.99 14.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.9 Cg_endo -69.84 -4.85 14.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.297 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.44 -43.54 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 51' ' ' LEU . 13.3 p -38.91 -39.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.039 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 55' ' ' LEU . 70.5 mt -49.55 -62.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.682 ' O ' HG22 ' A' ' 56' ' ' THR . 66.8 t80 -38.69 -58.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -42.78 -44.42 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.14 -50.35 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 51' ' ' LEU . 5.5 mp -57.31 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' TYR . 6.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.427 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 15.0 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -61.23 147.92 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 8.1 t0 -57.41 -27.78 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 22.9 m80 -78.0 -7.78 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.19 -53.5 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 17' ' ' ASP . 9.4 ptpt -53.69 -16.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' CG ' HD12 ' A' ' 22' ' ' ILE . 10.7 pt-20 -74.1 -40.41 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' HG3' ' A' ' 26' ' ' LYS . 5.2 mp -70.38 -46.73 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 37' ' ' ILE . 40.9 t80 -52.55 -40.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.94 -70.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' ILE . 6.2 t70 -52.93 -43.96 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.22 -54.99 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -43.43 -47.51 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 25' ' ' ASP . 40.1 mt -52.78 -64.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ILE . 1.7 mp0 -36.47 -39.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 4.4 t-80 -159.0 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.73 167.11 25.33 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 40.6 44.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -128.84 70.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.6 -30.48 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.83 -63.92 2.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.8 tt -45.14 -53.37 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.517 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.0 mt -52.67 -52.46 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.07 81.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -40.17 -57.89 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -51.82 -45.4 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.725 HD13 ' HG3' ' A' ' 44' ' ' LYS . 22.5 mt -66.55 157.44 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -112.51 -41.06 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.1 45.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 41' ' ' LEU . 24.3 mmtm -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -95.67 158.93 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.88 -58.37 19.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -57.01 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.08 -46.98 17.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.0 p -40.96 -35.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.22 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -51.88 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -46.75 -30.14 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.21 -33.84 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.83 -45.07 13.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 16.8 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -118.52 161.99 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -48.52 -57.25 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.86 -44.46 39.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.506 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 21.7 mt-10 -60.2 -37.73 81.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -62.74 -58.66 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.79 -39.69 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.7 mt -62.68 -57.62 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -44.21 -51.73 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.8 -55.06 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 24.9 m-20 -36.94 -63.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 40' ' ' TYR . 5.8 mptt -62.07 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 57.6 t80 -34.73 -39.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.95 -61.51 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.47 -53.45 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -108.85 78.69 0.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.59 14.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.5 mttp 61.96 41.02 11.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.9 t-20 -125.96 35.87 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ASN . 9.4 m-85 -34.74 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ASN . . . -49.03 -52.57 21.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 36' ' ' LEU . 2.4 tt -79.38 -33.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.61 -36.62 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -57.57 -20.78 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -55.0 -58.29 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.572 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 50.4 m-85 -72.0 -31.72 66.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 38' ' ' ALA . 78.9 mt -51.79 -174.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -149.44 115.05 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 48.81 34.67 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 15' ' ' TRP . 30.8 mmtt -117.97 92.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.75 156.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -58.75 -58.43 19.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.602 0.715 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.4 Cg_endo -69.72 -14.07 35.7 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -24.09 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.9 m -84.73 -38.39 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -43.6 -48.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.55 -44.16 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.6 t80 -59.49 -48.52 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -51.34 -38.41 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -71.42 -65.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 52' ' ' TYR . 8.8 mt -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CZ2' ' HE3' ' A' ' 44' ' ' LYS . 57.3 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.7 p -125.53 160.38 29.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.97 -42.48 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 37.5 m170 -58.91 -42.53 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.625 ' HA ' HD13 ' A' ' 22' ' ' ILE . 1.1 mp0 -81.72 -18.77 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -70.65 -51.24 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 22' ' ' ILE . 3.4 pt-20 -43.99 -37.94 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 21' ' ' GLU . 4.7 mp -64.21 -58.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.09 -52.56 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.18 -56.77 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.6 t0 -61.21 -52.41 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 19.5 mmtm -47.18 -60.53 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -45.12 -55.03 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 25' ' ' ASP . 28.2 mt -47.14 -48.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -53.6 -44.99 69.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 m-70 -155.13 105.03 2.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.2 Cg_endo -69.83 147.65 62.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.08 40.96 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' PHE . 3.6 m120 -123.36 43.6 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' ASN . 21.0 m-85 -36.53 -53.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.82 -55.92 18.52 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -55.16 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -47.88 -37.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.04 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -40.14 -51.13 2.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 69.5 m-85 -61.99 -50.61 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.71 98.88 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -51.24 42.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -53.15 -51.49 61.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 1.4 mmmp? -63.26 174.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.68 165.97 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.07 -58.53 14.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.8 0.8 5.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.55 -40.02 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' VAL . 34.2 m -65.41 -49.85 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 51' ' ' LEU . 4.2 p -36.42 -50.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' N ' HG13 ' A' ' 50' ' ' VAL . 4.4 mm? -47.61 -56.62 6.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HA ' HD12 ' A' ' 55' ' ' LEU . 19.9 t80 -39.64 -56.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -46.35 -48.07 18.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -57.93 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' TYR . 6.7 mt -55.39 -52.76 62.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.6 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.349 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -102.2 176.12 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' GLU . 13.0 m-70 -54.93 -70.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' HIS . 7.3 mm-40 -34.88 -52.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -48.74 -52.23 24.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -47.78 -61.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.4 mt -50.01 -63.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' HG21 ' A' ' 37' ' ' ILE . 2.3 t80 -47.02 -39.21 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -67.46 -38.95 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.69 -60.38 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -43.46 -60.56 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.7 t80 -35.31 -42.18 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.72 -48.09 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' LYS . 38.1 mt-30 -71.25 -48.62 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 2.2 t-80 -141.05 104.99 6.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.523 0.677 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 148.76 65.59 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 50.65 28.28 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -101.95 32.48 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' ASN . 43.9 m-85 -34.43 -42.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.31 -47.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -82.45 -50.68 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.327 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.1 mt -40.39 -42.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -54.22 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -40.9 -54.92 2.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.27 -54.77 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . 17.7 mt -71.75 94.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.57 -32.88 74.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.14 21.46 2.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 34.3 mmtm -142.5 -179.62 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -148.26 167.53 24.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.06 -58.69 17.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.7 -11.59 31.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.18 -27.98 22.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 p -94.08 -44.19 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 47' ' ' PRO . 12.6 p -44.04 -37.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.6 tp -79.33 -47.24 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.59 -43.67 56.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.67 -43.47 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.3 -48.8 78.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mp -46.05 -57.14 4.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.6 m95 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.805 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -110.96 177.43 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.36 -63.43 1.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -44.45 -55.49 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 mm-40 -40.58 -36.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.05 -67.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.37 -26.35 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 19' ' ' GLU . 56.4 mt -64.72 -58.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -47.91 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.87 -48.58 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -61.07 -44.16 97.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -44.97 -62.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.28 -61.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -48.52 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.629 ' CE1' HD23 ' A' ' 36' ' ' LEU . 1.8 p-80 -139.32 105.04 7.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.586 0.707 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 154.4 67.41 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.626 2.217 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 38.64 37.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.488 ' ND2' ' HB2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.62 85.11 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' GLY . 64.1 m-85 -78.72 -54.07 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.92 -35.71 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' CE1' ' A' ' 30' ' ' HIS . 7.6 tp -80.74 -52.8 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.5 mt -47.11 -44.57 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.83 -39.89 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 m -50.04 -49.66 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 26' ' ' LYS . 40.5 m-85 -65.77 -38.47 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 19' ' ' GLU . 19.6 mt -54.27 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.98 102.02 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 mmt-85 62.51 47.26 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' CB ' HD13 ' A' ' 41' ' ' LEU . 37.3 mmtm -123.03 85.91 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -40.15 154.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 47' ' ' PRO . 1.9 t -55.29 -58.63 14.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.147 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' N ' HG12 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -5.38 16.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.73 2.287 . . . . 0.0 112.304 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.0 -46.74 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.4 p -62.83 -34.21 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -40.91 -47.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -46.27 -55.05 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' CZ ' HG21 ' A' ' 56' ' ' THR . 91.3 t80 -46.45 -49.42 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -53.48 -48.67 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -55.14 -49.42 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.07 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 30.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 48.5 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.1 p -124.59 161.61 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -42.3 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . 38.6 m80 -51.2 -55.39 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -57.14 -57.11 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLU . 62.3 mttp -37.48 -52.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -40.86 -60.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -53.48 -55.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.78 -55.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -61.29 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 27.5 t0 -43.85 -44.22 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -49.32 59.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -49.4 -44.55 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.8 -23.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.6 -64.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.97 78.61 1.32 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.548 0.689 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 146.61 60.34 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.591 2.194 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt 57.61 40.22 26.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -127.48 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -39.83 -44.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.95 -40.94 51.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tp -80.64 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.79 -41.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.14 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -43.07 -44.24 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -65.72 -49.69 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.74 95.52 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 6.8 pt-20 -64.47 -40.61 96.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 1.6 tpt180 -45.45 -49.15 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 mptp? -100.51 -175.79 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -142.77 -175.74 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' HA2' ' A' ' 35' ' ' GLY . 2.0 t -54.38 -58.53 13.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.81 -44.73 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.12 -15.38 9.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.2 -40.74 13.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.98 -44.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.44 -56.81 6.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -53.12 -58.14 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -38.85 -43.93 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.24 -61.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' THR . 52.1 mt -45.16 -42.73 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.8 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -91.77 -52.45 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -69.43 115.37 8.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.59 -72.85 0.7 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -102.55 95.71 6.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -65.43 -49.06 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.67 -89.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.97 41.05 4.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.802 0.334 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -62.4 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.56 134.15 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -66.2 108.5 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.8 mmt -113.28 112.42 23.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -108.32 79.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 16' ' ' THR . 6.0 p -154.33 135.05 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -55.83 118.3 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 14' ' ' VAL . 81.6 p -112.98 162.76 15.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.95 -55.78 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -47.9 -43.89 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.78 -57.32 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -45.38 -51.3 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -49.89 -43.0 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.75 -42.71 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.12 -39.47 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -82.86 -45.43 14.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.43 -56.12 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' PHE . 7.5 mptt -71.33 -48.46 50.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' LYS . 44.9 t80 -36.04 -52.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -51.03 -49.91 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -71.48 -66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -107.77 77.16 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 149.5 66.55 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.661 2.241 . . . . 0.0 112.311 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt 61.16 27.85 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -125.73 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.984 ' CE2' HG23 ' A' ' 50' ' ' VAL . 28.0 m-85 -75.78 -18.44 59.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.07 -32.83 83.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 39' ' ' SER . 12.7 tp -91.1 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 mt -39.8 -32.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.09 -38.11 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' LEU . 15.3 t -52.94 -40.09 63.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -71.26 -44.15 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.21 78.73 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.97 -44.58 67.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -52.18 -27.19 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -112.31 159.87 18.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -106.02 178.44 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -65.17 -58.26 12.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.735 2.29 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.73 -35.05 15.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.88 -39.48 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.984 HG23 ' CE2' ' A' ' 34' ' ' PHE . 5.4 p -39.61 -34.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.77 -54.92 31.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -41.82 -52.64 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -44.97 -36.44 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -78.24 -49.23 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -49.01 -48.51 43.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.1 m -70.25 -23.74 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -115.08 44.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -105.27 109.88 22.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -120.43 168.52 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -99.34 100.95 12.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -139.53 111.26 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -139.11 131.07 27.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.1 114.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -161.55 124.33 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -64.11 142.28 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.64 122.13 1.49 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.4 41.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -77.29 169.09 18.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -47.65 -43.23 25.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -44.3 160.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtt -43.9 157.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -127.35 172.51 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 16' ' ' THR . 8.0 p -118.44 139.89 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -47.15 108.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 14' ' ' VAL . 23.6 p -119.33 -74.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.53 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -58.33 -58.04 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.822 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.5 mm-40 -47.38 -42.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -58.74 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.74 -54.25 49.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' GLU . 54.7 mt -43.13 -59.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -46.0 -48.43 16.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -52.06 -58.5 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HD3' ' CD2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -53.05 -61.57 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -42.03 -58.82 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.5 mt -44.02 -53.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.55 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 61.0 m80 -112.02 81.59 3.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 144.07 52.9 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mttp 62.13 33.09 17.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.95 103.95 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -78.47 -48.78 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.46 -52.26 49.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -52.12 -62.31 1.72 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.7 mt -46.48 -45.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.31 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -44.03 -52.62 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 78.6 m-85 -57.86 -49.05 77.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.21 130.96 42.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.2 pt-20 -96.03 -44.37 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 41.1 mtt180 -87.91 37.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -146.45 168.42 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 m -125.19 -178.3 4.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.91 -58.3 8.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -76.01 -42.06 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 m -59.89 -46.29 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.8 t -41.51 -52.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -44.21 -53.96 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -55.59 -57.31 12.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -43.74 -41.97 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -64.66 -54.16 36.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.0 mt -56.1 -41.42 75.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -45.72 -52.31 11.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -95.53 28.21 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -112.67 -56.32 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 41.32 42.24 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -79.88 -40.45 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -130.63 104.84 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 61.17 42.86 11.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 74.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 m -79.73 164.93 23.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -131.97 131.73 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.53 -165.24 1.39 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -99.16 95.18 6.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -120.54 85.35 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 41.91 45.6 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -116.07 135.46 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -120.81 129.96 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -121.62 85.6 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 15' ' ' TRP . 29.3 m -65.03 -44.42 95.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' N ' HG23 ' A' ' 14' ' ' VAL . 28.5 m95 -51.33 118.97 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.16 177.97 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -76.4 -8.52 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.811 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -97.89 -18.2 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -103.83 -45.11 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -15.96 53.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.78 -18.99 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' HG3' ' A' ' 26' ' ' LYS . 17.8 mm -74.53 -57.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -44.59 -47.39 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -51.39 -63.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -55.84 -55.33 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' A' ' 22' ' ' ILE . 24.0 mmtm -46.39 -29.1 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.08 -54.53 12.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 28' ' ' ILE . 2.4 mp -56.87 -51.21 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 20.8 pt20 -61.42 -51.71 67.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' CD2' ' A' ' 36' ' ' LEU . 65.5 m-70 -133.5 78.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 146.61 60.8 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.756 2.304 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp 60.44 36.16 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -127.74 49.96 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -38.53 -32.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.11 -52.03 35.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' CD2' ' CG ' ' A' ' 30' ' ' HIS . 10.0 tp -71.62 -34.97 70.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.512 HG23 ' CB ' ' A' ' 26' ' ' LYS . 43.1 mt -66.58 -43.27 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.03 50.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -64.35 -27.14 68.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 11.4 m-85 -92.14 -18.72 23.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD21 ' HB ' ' A' ' 22' ' ' ILE . 17.7 mt -104.27 86.19 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.69 -36.37 80.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -48.43 -59.29 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -103.13 130.28 50.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HB2' ' A' ' 48' ' ' ASP . 45.8 m -71.19 -179.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.83 -58.05 21.3 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.643 0.735 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.4 Cg_endo -69.82 -8.97 24.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' HB2' ' N ' ' A' ' 45' ' ' SER . 2.7 m-20 -87.93 -41.65 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.15 -24.17 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' TYR . 40.3 t -63.84 -43.8 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 55' ' ' LEU . 4.5 mm? -42.37 -42.88 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' THR . 16.3 t80 -68.16 -35.39 77.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.9 t80 -62.79 -31.07 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -77.35 -39.31 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -57.01 -49.9 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 52' ' ' TYR . 23.0 p -52.46 -19.16 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 36.0 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -55.5 -50.85 68.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -45.79 157.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -91.83 -38.08 12.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -149.99 131.24 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -126.64 158.53 36.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.09 178.95 28.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.8 t -115.79 83.86 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.854 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.0 m 35.15 41.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.57 108.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.18 144.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -40.3 123.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 51.58 47.38 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -99.97 114.4 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.8 mmt -52.1 119.38 4.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -113.91 101.74 9.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -131.59 134.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 19' ' ' GLU . 58.3 m95 -44.09 142.9 1.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -128.34 164.98 21.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -48.03 -51.0 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 18' ' ' HIS . 32.4 m-70 -49.05 -30.55 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 15' ' ' TRP . 36.8 mm-40 -87.06 -45.15 11.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -55.36 -41.51 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.37 -22.73 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.56 HG21 HD21 ' A' ' 41' ' ' LEU . 77.4 mt -84.0 -32.82 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -75.71 -37.64 59.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 5.5 ptmm? -70.7 -35.41 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 13.5 t70 -62.63 -63.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -55.29 -42.08 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.48 -51.42 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.7 mt -51.15 -59.22 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -58.56 -63.75 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CG ' ' HG ' ' A' ' 36' ' ' LEU . 15.8 m80 -112.09 80.45 3.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 149.06 66.23 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.617 2.211 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 58.89 29.99 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -128.4 84.79 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.13 -50.78 72.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -45.45 -50.6 10.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -53.77 -60.01 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.1 mt -50.13 -61.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.31 16.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -54.88 -49.61 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.466 ' HE1' HD11 ' A' ' 36' ' ' LEU . 14.3 m-85 -57.48 -56.47 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.56 HD21 HG21 ' A' ' 22' ' ' ILE . 37.1 mt -66.59 146.87 54.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -108.76 -25.32 10.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.47 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HE3' ' CE2' ' A' ' 15' ' ' TRP . 63.0 mmtt -67.46 174.17 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.33 177.96 7.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -67.87 -58.71 7.61 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.701 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -10.23 28.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.27 -37.55 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 50' ' ' VAL . 19.6 p -72.88 -45.6 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG1' ' CE1' ' A' ' 54' ' ' TYR . 55.7 t -40.66 -45.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mp -47.57 -44.81 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.98 -54.18 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -46.77 -39.19 11.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.467 ' CE1' ' CG1' ' A' ' 50' ' ' VAL . 3.7 m-85 -58.43 -50.8 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.01 -58.52 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' LYS . 31.4 p -56.08 -61.71 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' THR . 8.2 tttm -35.04 -44.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -69.16 149.98 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.49 103.85 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -125.29 106.74 10.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -166.15 126.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -132.73 166.67 21.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.08 101.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -90.38 -52.78 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -140.69 131.36 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.72 83.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -169.81 123.47 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -150.55 174.76 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -69.84 133.7 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -132.1 158.52 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.494 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 ptt? -159.19 177.01 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -51.06 94.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 12' ' ' MET . 78.8 t -84.16 -48.48 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CG ' ' CD1' ' A' ' 52' ' ' TYR . 1.9 m95 -63.91 117.28 6.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -134.37 -75.43 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.571 ' H ' HG23 ' A' ' 16' ' ' THR . 63.9 m-20 -130.42 -60.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -81.86 -24.68 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 4.3 mp0 -79.23 -35.73 41.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.68 -45.55 15.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' N ' ' HD3' ' A' ' 20' ' ' LYS . 9.7 pt-20 -49.59 -46.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 92.3 mt -52.87 -60.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.7 -63.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -44.95 -59.17 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -40.02 -61.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HE2' ' CG ' ' A' ' 40' ' ' TYR . 4.6 mptt -43.91 -60.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 20.8 t80 -41.23 -35.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.4 mm -61.91 -43.84 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -73.68 -57.7 3.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -128.77 80.86 71.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 53.7 Cg_endo -69.74 170.83 15.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.238 . . . . 0.0 112.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 55.5 44.79 26.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -160.23 113.08 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 70.6 m-85 -79.9 -60.63 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . . . -36.38 -68.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.0 tt -38.19 -53.59 1.43 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.2 mt -52.73 -49.62 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.47 81.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 t -42.37 -57.72 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 46.6 m-85 -52.56 -52.93 52.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.656 HD13 ' HD2' ' A' ' 44' ' ' LYS . 6.2 mt -63.52 144.77 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.42 -35.25 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 14.0 mtp-105 -88.82 32.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.656 ' HD2' HD13 ' A' ' 41' ' ' LEU . 44.1 mttp -150.76 163.96 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -118.85 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 47' ' ' PRO . 2.0 t -61.7 -58.57 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.617 0.723 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' N ' HG12 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.76 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -85.46 -39.94 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 86.9 t -38.63 -61.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' HD13 ' A' ' 55' ' ' LEU . 34.9 mt -44.68 -51.19 9.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' CG ' ' A' ' 15' ' ' TRP . 84.7 t80 -52.72 -56.56 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -44.6 -47.28 10.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.49 -59.89 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 51' ' ' LEU . 8.8 mp -39.49 -59.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.9 p -44.06 -57.17 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -53.56 -45.89 70.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -147.88 138.54 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -46.8 -52.15 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.08 140.95 23.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -154.55 131.76 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -110.17 113.34 25.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 64.65 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -155.47 132.57 10.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 110.837 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.61 -61.24 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.48 72.42 0.15 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -111.61 -44.77 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -167.12 128.12 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' PHE . 80.3 mt-30 -130.48 125.82 35.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.4 t80 -35.8 -46.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -138.11 153.22 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -88.51 99.67 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.63 131.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.8 m95 -51.46 146.61 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -128.45 169.91 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -54.49 -58.58 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -45.04 -49.33 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.9 -44.73 92.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.45 -61.65 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -40.82 -45.76 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.796 HG22 ' NZ ' ' A' ' 26' ' ' LYS . 49.3 mt -69.54 -54.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 3.4 t80 -40.56 -47.79 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -79.58 -27.57 41.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.19 -38.06 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.796 ' NZ ' HG22 ' A' ' 22' ' ' ILE . 1.9 mppt? -88.27 -40.55 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -41.29 -44.1 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.84 -52.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -63.8 -51.35 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 33.5 m-70 -129.96 79.18 73.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 159.03 55.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttm 62.01 31.74 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -139.65 109.12 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.9 m-85 -83.17 -60.74 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.81 -47.7 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.442 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 30' ' ' HIS . 5.4 tp -61.97 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.619 HG23 ' HE2' ' A' ' 26' ' ' LYS . 72.3 mt -63.01 -62.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.02 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -42.4 -53.65 4.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' CD1' ' HE3' ' A' ' 26' ' ' LYS . 68.9 m-85 -60.94 -44.57 97.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -85.12 101.8 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.91 -54.93 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -41.88 -50.3 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 15' ' ' TRP . 61.8 mmtt -74.29 174.69 8.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -135.52 169.07 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.03 -58.6 18.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.633 0.73 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 55.0 Cg_endo -69.62 -23.34 31.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -51.09 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' VAL . 37.9 m -50.68 -47.93 58.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 84.3 t -36.52 -63.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 55' ' ' LEU . 2.4 tt -42.67 -63.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.514 ' CD2' ' CD2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -43.42 -44.73 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -55.08 -45.66 75.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -64.07 -52.18 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 51' ' ' LEU . 46.5 mt -42.07 -56.51 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p -62.03 -42.59 99.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.0 -45.63 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -118.57 126.84 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -133.21 166.8 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.75 94.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -140.51 140.3 35.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 110.813 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 57.67 44.32 20.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.13 54.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . 89.1 p -49.54 101.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.788 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 57.18 40.32 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.22 -46.13 1.75 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.31 -45.73 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.65 159.5 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 11' ' ' PHE . 72.7 mm-40 -117.84 120.95 39.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' GLN . 13.2 m-85 35.52 43.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.1 mmt -93.84 46.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -174.89 106.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.8 t -48.22 -58.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' A' ' 19' ' ' GLU . 43.5 m95 -48.31 135.91 13.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.3 p -106.03 138.8 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.51 -15.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -89.82 -28.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' A' ' 15' ' ' TRP . 4.1 pt-20 -88.93 -43.88 10.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -62.72 -38.11 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ILE . 4.8 pt-20 -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 24.9 mm -63.25 -62.89 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CG ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t80 -36.59 -57.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -47.92 -50.1 27.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' LYS . 4.5 m-20 -65.47 -60.48 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -35.47 -62.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -39.49 -43.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mm -53.73 -44.39 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -78.82 -40.67 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.5 m-70 -133.24 82.52 53.19 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 137.0 34.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 61.64 42.08 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -134.36 74.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLY . 28.0 m-85 -59.15 -64.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.65 -48.0 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD13 ' CG ' ' A' ' 30' ' ' HIS . 3.8 tt -63.5 -58.65 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.0 mt -47.61 -47.35 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.95 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -48.16 -53.62 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -52.86 -60.89 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.01 141.53 57.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 11.3 pt-20 -99.56 -42.21 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 13.1 mmt-85 -90.34 33.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 31.7 mmtm -148.3 127.81 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -94.41 175.1 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.62 -58.03 17.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 111.222 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.87 -2.25 9.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.278 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.53 -51.72 5.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.8 p -51.46 -39.98 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -47.98 -49.77 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 mt -42.51 -49.89 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CD2' ' CG ' ' A' ' 23' ' ' PHE . 80.7 t80 -55.53 -56.98 13.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -39.64 -37.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -73.22 -47.0 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.28 -57.65 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -39.1 -33.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -86.86 -43.52 12.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -88.48 102.45 14.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -146.97 140.93 25.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -74.84 157.62 34.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -110.58 159.49 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -151.52 163.0 40.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.92 84.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -107.83 170.35 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 19.9 m -47.04 141.8 3.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.31 119.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -108.93 119.49 39.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -48.39 170.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' PHE . 13.5 mm100 -117.85 41.0 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m-85 -35.34 -46.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mtt -150.13 119.52 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.78 92.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.16 -38.81 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CH2' ' HE3' ' A' ' 44' ' ' LYS . 24.4 m95 -112.72 127.22 56.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' GLU . 47.5 p -91.13 145.17 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -45.29 -25.29 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -85.09 -33.39 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' THR . 41.3 mt-10 -74.82 -38.53 62.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -70.88 -16.0 62.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.22 -63.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.1 mp -49.32 -41.91 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -49.9 -43.01 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -76.6 -46.05 27.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -43.22 -56.17 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -69.18 -50.98 42.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' LYS . 52.7 t80 -36.58 -44.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.32 -49.99 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CG ' HD22 ' A' ' 33' ' ' ASN . 2.3 t-80 -122.59 80.9 47.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.553 0.692 . . . . 0.0 110.799 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.27 46.57 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 54.69 34.03 20.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.444 HD22 ' CG ' ' A' ' 30' ' ' HIS . 61.8 t-20 -130.87 86.34 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -71.2 -35.52 71.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.22 -36.16 61.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -81.44 -59.79 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.309 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.7 mt -47.17 -53.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.941 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -52.66 -39.58 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -49.33 -30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -83.38 -47.18 11.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.941 HD12 ' HA ' ' A' ' 38' ' ' ALA . 4.9 mt -56.56 122.52 12.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.11 -35.54 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -101.87 -67.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 41' ' ' LEU . 1.8 tppt? -38.57 156.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.99 168.47 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -55.7 -58.7 14.34 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.64 0.733 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.72 -0.68 7.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.87 -32.59 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 34' ' ' PHE . 20.7 p -79.56 -39.52 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.1 t -34.24 -42.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' TYR . 4.3 mp -66.82 -61.79 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' LEU . 12.7 t80 -37.49 -56.69 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -40.38 -47.79 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -62.94 -56.44 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' CD2' ' H ' ' A' ' 55' ' ' LEU . 2.9 mm? -43.58 -51.31 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 m -50.34 -57.89 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -39.26 -46.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -173.55 175.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -88.96 130.19 35.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -41.02 107.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -99.03 -55.44 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -50.52 -62.26 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.28 103.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -101.8 -59.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m 57.85 42.4 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.7 107.75 3.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -141.62 128.2 20.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.815 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -108.46 -44.61 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 9.4 mm-40 -111.31 84.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -158.5 168.57 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 13' ' ' ASN . 37.3 ttp -124.76 149.09 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 12' ' ' MET . 0.7 OUTLIER -156.57 155.97 32.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -119.74 -54.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 19' ' ' GLU . 9.1 m95 -57.67 100.21 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 p -52.32 155.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.5 -46.29 27.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.33 -50.22 72.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 36.4 mm-40 -48.91 -59.13 3.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -55.96 -43.16 77.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 23.3 mt-10 -58.11 -45.55 87.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.37 -50.02 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.5 -47.4 57.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -70.85 -41.59 71.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -50.31 -57.29 8.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.802 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -64.96 -28.81 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -51.9 -46.68 64.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.98 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' CD ' ' HA ' ' A' ' 26' ' ' LYS . 3.1 pt20 -51.26 -55.4 18.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.647 ' CG ' HD13 ' A' ' 36' ' ' LEU . 98.1 m-70 -117.2 83.93 16.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 139.99 41.7 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 mttp 62.0 41.27 11.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.81 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -60.89 -57.56 12.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.01 -61.8 4.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' CG ' ' A' ' 30' ' ' HIS . 5.9 tt -37.81 -62.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 26' ' ' LYS . 58.3 mt -50.07 -54.05 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . . . -50.2 -49.59 52.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -39.36 -48.7 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -66.51 -51.53 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.56 92.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.34 -45.88 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -53.48 -61.47 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -70.86 176.2 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' H ' ' CB ' ' A' ' 48' ' ' ASP . 1.1 t -125.22 159.74 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -46.03 -58.69 5.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 -3.44 12.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CB ' ' H ' ' A' ' 45' ' ' SER . 5.4 t0 -84.35 -42.34 15.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.14 -47.51 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 HD12 ' A' ' 51' ' ' LEU . 5.5 p -38.99 -45.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 50' ' ' VAL . 9.9 mp -62.62 -48.07 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.807 ' HA ' HD12 ' A' ' 55' ' ' LEU . 58.3 t80 -46.41 -44.04 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.67 -44.78 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -64.5 -48.48 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 52' ' ' TYR . 11.5 mt -52.64 -46.39 67.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 p -128.96 73.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 58' ' ' LYS . 1.4 pptp? -92.52 -15.07 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' CB ' ' HD2' ' A' ' 57' ' ' LYS . 37.0 tttm -158.38 126.7 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -128.84 101.32 6.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.96 169.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.9 m -34.63 143.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -110.23 161.48 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.54 89.88 1.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 p -163.1 146.58 10.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -119.82 42.21 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.793 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 52.9 3.63 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -119.0 138.53 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.329 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -150.16 119.74 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -87.88 151.97 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -118.24 -54.53 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -148.86 115.18 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -103.33 101.13 11.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.7 m -85.96 -177.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.482 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 34.0 m95 -115.39 129.57 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 p -101.21 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -48.87 -59.69 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' O ' HD12 ' A' ' 22' ' ' ILE . 6.2 m80 -46.21 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 49.7 mt-10 -36.13 -48.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -59.97 -49.66 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -44.09 -49.01 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.669 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -62.7 -66.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.6 t80 -35.56 -47.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -45.41 -64.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -58.55 -41.78 86.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.05 -45.44 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -55.79 -58.56 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.44 -50.93 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -57.18 -59.88 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.61 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.1 p-80 -128.94 83.12 67.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 145.48 57.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.779 2.319 . . . . 0.0 112.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 mttt 62.05 31.15 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -124.43 52.52 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 50' ' ' VAL . 40.3 m-85 -44.63 -27.94 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.61 -47.8 60.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD23 ' CG ' ' A' ' 30' ' ' HIS . 8.3 tp -70.44 -47.68 59.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.22 -55.99 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.86 -45.23 40.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -41.52 -46.45 3.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -58.5 -60.89 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.692 HD22 ' HG3' ' A' ' 44' ' ' LYS . 4.5 mp -70.45 143.29 51.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.91 -20.88 14.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -99.89 19.65 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.692 ' HG3' HD22 ' A' ' 41' ' ' LEU . 19.4 mmtp -136.9 123.44 20.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.6 178.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.521 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.46 -58.38 13.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.3 Cg_endo -69.69 -9.3 25.79 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -86.65 -15.95 38.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.5 m -92.87 -39.71 11.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 34' ' ' PHE . 83.0 t -53.77 -39.68 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -69.81 -54.31 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -42.38 -42.01 3.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -66.63 -57.83 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -53.44 -58.73 6.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mp -49.98 -49.17 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -87.91 26.07 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' THR . 19.7 pttm -34.61 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER 56.0 55.07 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -81.78 93.25 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -108.01 44.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -45.34 -58.91 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 54.06 34.43 19.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.89 145.59 17.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -107.38 113.59 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -72.15 -46.55 56.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.88 -155.77 6.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.74 107.45 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -99.25 41.38 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ARG . 19.6 mm-40 37.17 39.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -97.1 129.14 44.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.8 mtm -92.49 137.09 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -83.99 99.32 10.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' TRP . 9.2 p -82.62 -40.11 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.406 ' N ' HG13 ' A' ' 14' ' ' VAL . 24.6 m95 -57.72 173.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 p -143.62 171.98 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' HA ' ' CD ' ' A' ' 20' ' ' LYS . 58.8 m-20 -62.97 -47.71 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' GLU . 17.0 m170 -57.91 -62.05 2.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HA ' HD13 ' A' ' 22' ' ' ILE . 44.5 mt-10 -34.51 -49.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 17' ' ' ASP . 6.1 mtpm? -44.7 -50.42 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -53.49 -42.71 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.1 mp -69.56 -51.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.516 ' CE2' ' CD1' ' A' ' 52' ' ' TYR . 40.5 t80 -50.95 -47.04 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -75.12 -49.92 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 7.2 t0 -38.56 -46.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 1.7 mptp? -75.21 -51.16 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -39.15 -47.61 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -52.17 -44.21 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -76.55 -36.48 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CD2' HD22 ' A' ' 36' ' ' LEU . 11.9 m80 -133.7 80.51 55.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.29 66.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt 63.56 25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -126.51 90.2 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 50' ' ' VAL . 18.6 m-85 -77.06 -48.71 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.9 48.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 30' ' ' HIS . 13.5 tp -54.4 -53.99 46.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.4 mt -52.97 -46.62 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.93 -26.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 p -67.65 -49.89 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.8 m-85 -74.29 -33.65 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 12.5 mt -56.65 -174.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 2.3 tt0 -83.6 29.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 11.7 mmm180 75.06 50.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -87.86 172.12 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 48' ' ' ASP . 3.8 m -76.86 158.74 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.524 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -66.92 -58.27 9.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.099 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.74 2.47 3.5 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 3.8 m-20 -88.28 -35.64 17.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 41' ' ' LEU . 86.2 m -77.68 -38.89 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HA ' ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -39.78 -53.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.9 mt -48.98 -56.03 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 4.3 t80 -38.98 -56.34 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -40.97 -47.66 3.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.8 -56.28 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' THR . 3.4 mm? -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' LEU . 20.7 m -36.86 -50.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -175.01 119.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -100.77 108.2 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -102.87 117.21 34.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -128.39 126.06 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -78.7 166.46 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.817 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -51.81 173.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.04 177.61 17.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 p -141.2 129.07 21.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -98.02 149.93 21.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.86 96.62 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -46.35 76.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -54.94 134.91 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' PHE . 12.0 pt20 -49.49 -44.9 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 5.2 m-85 -112.64 157.57 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -125.19 83.72 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -126.82 130.32 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.3 t -119.49 -55.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 4.1 m95 -41.95 117.31 0.93 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -133.7 -53.52 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.454 ' CD2' ' HG2' ' A' ' 21' ' ' GLU . 2.2 t-80 -81.07 -52.88 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -44.93 -27.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 -30.51 19.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 18' ' ' HIS . 0.9 OUTLIER -74.79 -23.58 58.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.48 -58.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -43.52 -44.72 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -56.04 -50.88 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.93 -62.15 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HD2' ' CD2' ' A' ' 40' ' ' TYR . 29.7 mmtt -38.68 -47.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' CE2' ' OE2' ' A' ' 60' ' ' GLU . 50.6 t80 -52.82 -61.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -41.29 -55.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -60.32 -58.07 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.672 ' CG ' HD23 ' A' ' 36' ' ' LEU . 26.6 m80 -112.11 81.0 3.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 139.17 39.81 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 63.88 37.64 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.36 84.54 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -70.0 -50.67 39.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.07 -49.1 69.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD23 ' CG ' ' A' ' 30' ' ' HIS . 9.9 tp -56.22 -59.01 5.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.764 0.316 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.52 -56.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.77 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.037 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -41.64 -47.21 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 79.4 m-85 -55.86 -49.98 71.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.63 77.2 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -53.13 -45.54 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -59.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 15' ' ' TRP . 27.1 mttp -80.28 177.95 8.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.0 p -116.13 -179.86 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.523 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -63.08 -58.16 17.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.74 3.2 2.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -82.57 -36.78 25.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' VAL . 67.5 m -76.61 -38.72 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' CYS . 93.6 t -36.8 -59.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.46 -50.3 68.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.6 t80 -45.58 -53.44 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -48.42 -54.15 15.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -58.63 -51.96 67.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 34.9 mt -49.42 -46.41 47.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -127.96 73.51 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -97.56 -43.59 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -48.89 -38.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -46.79 -42.97 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' CE2' ' A' ' 27' ' ' PHE . 44.3 tt0 -118.13 101.62 8.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -135.04 120.95 19.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -119.7 169.84 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.61 104.39 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.434 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 t -90.55 80.45 6.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t 57.76 41.95 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.57 137.69 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.92 42.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -128.99 153.13 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -159.02 132.15 7.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -140.94 118.78 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -168.6 143.79 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -91.62 89.69 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 15' ' ' TRP . 27.1 m -64.41 -42.36 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 44' ' ' LYS . 40.1 m95 -53.78 115.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.2 p -115.86 171.1 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -57.35 -53.43 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 22' ' ' ILE . 41.0 m-70 -48.39 -52.12 23.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -54.86 -57.94 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -41.92 -53.07 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -39.24 -54.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.483 HD12 ' H ' ' A' ' 22' ' ' ILE . 4.6 mp -61.68 -55.91 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -40.34 -50.63 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -59.39 -51.9 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -54.74 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.18 -60.78 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LYS . 39.6 t80 -35.97 -52.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -49.95 -61.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.58 -50.8 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.494 ' ND1' ' CD2' ' A' ' 36' ' ' LEU . 34.1 m-70 -118.82 87.78 33.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 131.85 22.28 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.773 2.315 . . . . 0.0 112.35 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? 64.03 38.25 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PHE . 4.7 m120 -119.37 41.65 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' ASN . 31.8 m-85 -37.73 -39.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.96 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' ND1' ' A' ' 30' ' ' HIS . 24.1 tp -51.09 -44.32 61.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.6 mt -55.45 -59.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -42.02 -55.66 3.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.081 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -40.35 -42.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CG ' ' HD2' ' A' ' 26' ' ' LYS . 34.7 m-85 -69.34 -47.84 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 38' ' ' ALA . 9.0 mt -50.11 162.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.91 -76.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -135.0 73.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -118.85 167.85 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -128.39 154.96 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.1 t -53.6 -57.38 17.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.85 -7.72 21.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.03 -44.04 12.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 62.5 m -60.04 -43.84 95.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -48.62 -50.0 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.23 -58.48 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 56' ' ' THR . 38.6 t80 -48.25 -55.32 10.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -48.65 -41.6 31.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.61 -48.45 72.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.09 -45.18 83.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 71.4 p -65.21 -46.05 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 21.4 mtpt -37.97 -43.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt 38.48 42.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -86.96 96.79 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.41 161.21 7.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -65.37 132.52 49.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -38.85 -48.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.3 82.22 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -106.22 91.82 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -88.07 161.01 17.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.06 73.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -111.07 41.67 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 4.7 mmm180 -126.74 126.01 42.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -155.77 126.54 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' CD2' ' HG2' ' A' ' 12' ' ' MET . 32.3 t80 -45.47 124.49 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.6 mmt 59.46 40.59 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -48.25 126.04 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 12' ' ' MET . 92.9 t -119.5 -42.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.161 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 9.0 m95 -54.78 145.0 20.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ASP . 41.4 p -106.61 141.67 37.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' THR . 46.5 m-20 -38.34 -44.79 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -53.66 -54.7 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.1 mm-40 -58.05 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' NZ ' ' CE1' ' A' ' 52' ' ' TYR . 18.8 mtpp -42.29 -57.25 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -42.73 -43.51 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 19' ' ' GLU . 20.0 mt -62.97 -51.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -50.81 -48.09 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -70.41 -42.61 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.29 -54.12 29.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HB2' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -66.13 -41.01 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -41.89 -49.41 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.0 mt -52.81 -63.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.92 -40.35 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -134.98 84.93 36.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 140.85 43.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.395 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt 59.26 38.36 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.92 58.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 37' ' ' ILE . 4.1 m-85 -50.97 -40.3 57.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.7 -57.79 6.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 37' ' ' ILE . 5.5 tt -66.83 -55.11 16.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.526 ' N ' HD23 ' A' ' 36' ' ' LEU . 31.7 mt -40.37 -59.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.816 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -51.35 -42.47 61.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -39.19 -39.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -65.39 -50.17 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 38' ' ' ALA . 11.1 mt -48.71 142.16 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -46.52 8.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -94.31 -55.4 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.7 mmtm -53.62 138.79 33.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 m -105.07 175.81 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.95 -57.99 14.18 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.641 0.734 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.9 Cg_endo -69.84 -4.85 14.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.297 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.44 -43.54 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 51' ' ' LEU . 13.3 p -38.91 -39.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.039 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 55' ' ' LEU . 70.5 mt -49.55 -62.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.682 ' O ' HG22 ' A' ' 56' ' ' THR . 66.8 t80 -38.69 -58.5 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -42.78 -44.42 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.14 -50.35 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 51' ' ' LEU . 5.5 mp -57.31 -60.16 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' TYR . 6.0 t -53.81 -40.54 66.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -50.78 -46.51 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -136.49 118.02 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -139.4 176.4 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -102.83 114.99 29.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -126.24 134.93 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -143.61 158.55 43.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.64 -107.51 0.48 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -52.39 126.23 18.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -159.04 159.98 35.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.16 40.24 3.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -131.38 168.95 16.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.741 0.305 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -96.09 46.06 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -135.51 160.18 39.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.87 119.18 20.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.6 tpt -59.76 156.86 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.83 130.06 44.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.65 132.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.427 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 15.0 m95 -90.57 106.04 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -61.23 147.92 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 8.1 t0 -57.41 -27.78 62.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 22.9 m80 -78.0 -7.78 57.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -105.19 -53.5 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 17' ' ' ASP . 9.4 ptpt -53.69 -16.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' CG ' HD12 ' A' ' 22' ' ' ILE . 10.7 pt-20 -74.1 -40.41 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' HG3' ' A' ' 26' ' ' LYS . 5.2 mp -70.38 -46.73 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CD2' HG21 ' A' ' 37' ' ' ILE . 40.9 t80 -52.55 -40.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.94 -70.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' ILE . 6.2 t70 -52.93 -43.96 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.22 -54.99 20.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -43.43 -47.51 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 25' ' ' ASP . 40.1 mt -52.78 -64.96 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ILE . 1.7 mp0 -36.47 -39.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 4.4 t-80 -159.0 104.96 1.56 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.73 167.11 25.33 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.744 2.296 . . . . 0.0 112.323 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 40.6 44.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -128.84 70.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.6 -30.48 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.83 -63.92 2.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.8 tt -45.14 -53.37 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.0 mt -52.67 -52.46 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.07 81.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -40.17 -57.89 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -51.82 -45.4 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.725 HD13 ' HG3' ' A' ' 44' ' ' LYS . 22.5 mt -66.55 157.44 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.988 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -112.51 -41.06 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -100.1 45.18 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.725 ' HG3' HD13 ' A' ' 41' ' ' LEU . 24.3 mmtm -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -95.67 158.93 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.527 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -57.88 -58.37 19.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -57.01 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 58.9 m -46.08 -46.98 17.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 47' ' ' PRO . 6.0 p -40.96 -35.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.7 mt -46.22 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -51.88 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -46.75 -30.14 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' O ' ' CD ' ' A' ' 57' ' ' LYS . 1.7 t80 -70.21 -33.84 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.83 -45.07 13.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' LYS . 77.3 p -37.45 -35.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 54' ' ' TYR . 7.4 ptmm? -36.3 -43.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -74.87 85.01 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -123.93 159.61 29.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -119.19 -39.95 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.885 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -58.72 127.0 30.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.881 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m 51.68 41.97 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.38 159.8 20.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -51.45 -56.8 11.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -111.04 161.66 15.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 136.62 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.63 173.89 8.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -106.24 -44.25 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -86.17 151.93 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -141.85 126.03 17.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -121.21 144.99 48.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -72.42 109.13 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 p -149.4 137.84 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 16.8 m95 -111.4 154.1 25.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -118.52 161.99 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -48.52 -57.25 6.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.815 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -48.86 -44.46 39.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.506 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 21.7 mt-10 -60.2 -37.73 81.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -62.74 -58.66 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.79 -39.69 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.7 mt -62.68 -57.62 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -44.21 -51.73 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.8 -55.06 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' LYS . 24.9 m-20 -36.94 -63.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 40' ' ' TYR . 5.8 mptt -62.07 -50.43 71.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 57.6 t80 -34.73 -39.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.95 -61.51 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -65.47 -53.45 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -108.85 78.69 0.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.59 14.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.5 mttp 61.96 41.02 11.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' GLY . 49.9 t-20 -125.96 35.87 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' ASN . 9.4 m-85 -34.74 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ASN . . . -49.03 -52.57 21.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 36' ' ' LEU . 2.4 tt -79.38 -33.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.61 -36.62 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HA ' HD12 ' A' ' 41' ' ' LEU . . . -57.57 -20.78 34.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -55.0 -58.29 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.572 ' CD1' ' HE2' ' A' ' 26' ' ' LYS . 50.4 m-85 -72.0 -31.72 66.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 38' ' ' ALA . 78.9 mt -51.79 -174.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -149.44 115.05 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER 48.81 34.67 5.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 15' ' ' TRP . 30.8 mmtt -117.97 92.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.75 156.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.525 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -58.75 -58.43 19.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.602 0.715 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 54.4 Cg_endo -69.72 -14.07 35.7 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -24.09 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.9 m -84.73 -38.39 19.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -43.6 -48.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.55 -44.16 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 55' ' ' LEU . 1.6 t80 -59.49 -48.52 81.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -51.34 -38.41 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -71.42 -65.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 52' ' ' TYR . 8.8 mt -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -46.25 -48.99 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.11 -45.29 79.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -143.79 121.98 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -48.53 138.76 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.08 125.6 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -47.57 154.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -44.12 106.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.02 70.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -159.09 159.88 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -155.09 131.14 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.32 97.85 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 10' ' ' GLN . 10.0 t0 -156.58 118.96 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' OE1' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -36.68 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' OE1' ' CD ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -114.3 146.7 40.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -92.82 156.96 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.1 mmt -155.6 169.23 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -77.64 164.53 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.48 138.05 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CZ2' ' HE3' ' A' ' 44' ' ' LYS . 57.3 m95 -63.51 130.33 43.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.7 p -125.53 160.38 29.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.97 -42.48 65.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 37.5 m170 -58.91 -42.53 89.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.625 ' HA ' HD13 ' A' ' 22' ' ' ILE . 1.1 mp0 -81.72 -18.77 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -70.65 -51.24 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.729 ' HG3' HD12 ' A' ' 22' ' ' ILE . 3.4 pt-20 -43.99 -37.94 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 21' ' ' GLU . 4.7 mp -64.21 -58.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -43.09 -52.56 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.18 -56.77 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.6 t0 -61.21 -52.41 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 19.5 mmtm -47.18 -60.53 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -45.12 -55.03 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 25' ' ' ASP . 28.2 mt -47.14 -48.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -53.6 -44.99 69.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 m-70 -155.13 105.03 2.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.2 Cg_endo -69.83 147.65 62.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.246 . . . . 0.0 112.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.08 40.96 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' PHE . 3.6 m120 -123.36 43.6 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' ASN . 21.0 m-85 -36.53 -53.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.82 -55.92 18.52 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.01 -55.16 36.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -47.88 -37.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.04 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 t -40.14 -51.13 2.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 69.5 m-85 -61.99 -50.61 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.71 98.88 6.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.9 -51.24 42.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -53.15 -51.49 61.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 1.4 mmmp? -63.26 174.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.68 165.97 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.52 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -64.07 -58.53 14.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.177 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.8 0.8 5.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.55 -40.02 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' VAL . 34.2 m -65.41 -49.85 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 51' ' ' LEU . 4.2 p -36.42 -50.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' N ' HG13 ' A' ' 50' ' ' VAL . 4.4 mm? -47.61 -56.62 6.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HA ' HD12 ' A' ' 55' ' ' LEU . 19.9 t80 -39.64 -56.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -46.35 -48.07 18.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -57.93 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 52' ' ' TYR . 6.7 mt -55.39 -52.76 62.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.8 p -56.24 -42.52 77.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.83 80.86 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -99.53 38.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -48.34 -44.94 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.33 131.6 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -112.78 130.05 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -92.93 -26.81 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 146.65 9.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -98.81 88.41 4.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -148.03 120.32 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.75 -105.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.11 134.31 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.81 148.05 38.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' PHE . 20.4 mp0 -140.08 115.18 9.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLN . 31.4 m-85 37.81 42.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -116.02 128.99 56.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -135.26 166.56 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.62 136.51 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' CZ2' ' HD2' ' A' ' 44' ' ' LYS . 62.6 m95 -90.99 128.69 36.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 t -102.2 176.12 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' GLU . 13.0 m-70 -54.93 -70.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' HIS . 7.3 mm-40 -34.88 -52.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -48.74 -52.23 24.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -47.78 -61.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.4 mt -50.01 -63.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' HG21 ' A' ' 37' ' ' ILE . 2.3 t80 -47.02 -39.21 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -67.46 -38.95 85.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.69 -60.38 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -43.46 -60.56 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 26' ' ' LYS . 45.7 t80 -35.31 -42.18 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 mm -55.72 -48.09 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' LYS . 38.1 mt-30 -71.25 -48.62 49.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 2.2 t-80 -141.05 104.99 6.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.523 0.677 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' HIS . 53.5 Cg_endo -69.79 148.76 65.59 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? 50.65 28.28 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -101.95 32.48 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' ASN . 43.9 m-85 -34.43 -42.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -35.31 -47.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -82.45 -50.68 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.327 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 23' ' ' PHE . 64.1 mt -40.39 -42.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.57 -54.22 46.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -40.9 -54.92 2.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -54.27 -54.77 35.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' LYS . 17.7 mt -71.75 94.02 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.57 -32.88 74.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.14 21.46 2.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 41' ' ' LEU . 34.3 mmtm -142.5 -179.62 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -148.26 167.53 24.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 2.0 t -60.06 -58.69 17.52 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.7 -11.59 31.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.18 -27.98 22.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 p -94.08 -44.19 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 47' ' ' PRO . 12.6 p -44.04 -37.81 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.6 tp -79.33 -47.24 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -50.59 -43.67 56.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -53.67 -43.47 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.3 -48.8 78.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mp -46.05 -57.14 4.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.9 p -64.34 -38.82 92.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.4 tmtt? -36.19 -46.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -92.1 169.89 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.34 178.09 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -82.25 -39.67 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -90.13 134.89 33.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -133.62 118.3 18.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.29 85.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -63.82 148.93 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.799 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 t -43.09 -50.35 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 56.85 1.98 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.17 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -134.51 112.2 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -100.99 148.02 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -88.82 -47.76 7.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.1 mtp -106.81 172.27 6.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -87.8 141.61 28.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -155.94 133.11 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -81.47 143.48 32.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -110.96 177.43 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.36 -63.43 1.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -44.45 -55.49 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 22' ' ' ILE . 5.8 mm-40 -40.58 -36.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -62.05 -67.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -55.37 -26.35 40.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 19' ' ' GLU . 56.4 mt -64.72 -58.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -47.91 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.87 -48.58 21.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -61.07 -44.16 97.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -44.97 -62.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -39.28 -61.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.7 -48.52 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.629 ' CE1' HD23 ' A' ' 36' ' ' LEU . 1.8 p-80 -139.32 105.04 7.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.586 0.707 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 154.4 67.41 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.626 2.217 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 38.64 37.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.488 ' ND2' ' HB2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.62 85.11 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' GLY . 64.1 m-85 -78.72 -54.07 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' PHE . . . -34.92 -35.71 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' CE1' ' A' ' 30' ' ' HIS . 7.6 tp -80.74 -52.8 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.343 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.5 mt -47.11 -44.57 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.83 -39.89 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 m -50.04 -49.66 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 26' ' ' LYS . 40.5 m-85 -65.77 -38.47 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD2' ' OE1' ' A' ' 19' ' ' GLU . 19.6 mt -54.27 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -131.98 102.02 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.3 mmt-85 62.51 47.26 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' CB ' HD13 ' A' ' 41' ' ' LEU . 37.3 mmtm -123.03 85.91 2.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -40.15 154.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 47' ' ' PRO . 1.9 t -55.29 -58.63 14.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.147 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' N ' HG12 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 -5.38 16.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.73 2.287 . . . . 0.0 112.304 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.0 -46.74 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.4 p -62.83 -34.21 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -40.91 -47.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.074 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -46.27 -55.05 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' CZ ' HG21 ' A' ' 56' ' ' THR . 91.3 t80 -46.45 -49.42 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -53.48 -48.67 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -55.14 -49.42 71.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.07 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 30.4 p -49.56 -54.4 18.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -123.26 86.57 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -68.87 118.75 12.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.75 141.43 30.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -136.64 155.0 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -75.6 131.56 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 p -91.65 -49.18 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.2 149.09 41.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -107.17 -48.31 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -56.78 126.61 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.69 117.54 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -116.1 137.73 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -119.71 141.75 49.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' PHE . 4.3 tp-100 -87.63 106.46 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' GLN . 11.6 p90 -35.49 104.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.6 ttt -83.18 41.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -170.97 128.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 15' ' ' TRP . 27.2 m -41.28 -40.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.588 ' CZ2' ' HG2' ' A' ' 44' ' ' LYS . 48.5 m95 -57.94 134.88 56.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.1 p -124.59 161.61 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -42.3 69.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' O ' HD12 ' A' ' 22' ' ' ILE . 38.6 m80 -51.2 -55.39 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -57.14 -57.11 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLU . 62.3 mttp -37.48 -52.96 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -40.86 -60.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD12 ' H ' ' A' ' 22' ' ' ILE . 5.2 mp -53.48 -55.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -39.78 -55.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -61.29 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 27.5 t0 -43.85 -44.22 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -49.32 59.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -49.4 -44.55 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -55.8 -23.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -102.6 -64.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.97 78.61 1.32 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.548 0.689 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 146.61 60.34 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.591 2.194 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt 57.61 40.22 26.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -127.48 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -39.83 -44.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . -51.95 -40.94 51.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tp -80.64 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.79 -41.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.14 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -43.07 -44.24 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -65.72 -49.69 67.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.74 95.52 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' ARG . 6.8 pt-20 -64.47 -40.61 96.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 1.6 tpt180 -45.45 -49.15 13.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.588 ' HG2' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 mptp? -100.51 -175.79 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -142.77 -175.74 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.802 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' HA2' ' A' ' 35' ' ' GLY . 2.0 t -54.38 -58.53 13.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.81 -44.73 1.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.379 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.12 -15.38 9.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.2 -40.74 13.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.98 -44.52 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.44 -56.81 6.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -53.12 -58.14 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -38.85 -43.93 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.24 -61.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' THR . 52.1 mt -45.16 -42.73 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LYS . 20.8 m -36.06 -42.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 13.5 ptmt -35.04 -45.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -137.69 146.09 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -173.05 159.5 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -44.17 154.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.1 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.939 . . . . . . . . 0 0 . 1 stop_ save_