data_2ysf_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 2ysf _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.76 179.08 3.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.613 2.209 . . . . 0.0 112.37 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.04 128.02 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.24 -39.87 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 75.2 m95 -75.79 128.41 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 159.25 25.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.516 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 2.3 ttt -111.69 129.05 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -155.4 170.49 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.81 137.21 43.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.86 166.32 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.39 -44.35 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.31 -35.59 78.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 109.7 44.1 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 28.5 mm -95.6 138.62 21.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.8 Cg_endo -69.69 100.65 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -135.86 152.36 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.516 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 79.2 m-85 -113.43 152.12 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -124.05 131.21 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.68 124.51 42.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -80.27 -40.76 26.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -72.54 -50.51 25.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -76.2 -24.97 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 58.87 45.5 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.56 171.02 14.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 135.98 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -143.79 151.3 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.58 -37.95 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.33 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.204 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.82 166.81 26.43 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.779 2.319 . . . . 0.0 112.264 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -61.89 128.0 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.57 -42.38 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.55 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.6 m95 -73.85 132.8 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.702 0.287 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -127.91 155.49 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttt -101.09 130.83 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -152.64 170.45 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 22' ' ' PRO . 55.8 m-85 -141.68 136.26 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.7 p -68.73 171.02 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -44.14 -43.21 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 2.1 m-20 -66.4 -38.64 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.83 36.35 1.71 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 5.2 mp -90.12 138.68 27.31 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.694 0.759 . . . . 0.0 111.1 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.77 108.65 2.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -144.38 153.48 41.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 48.2 m-85 -112.84 156.94 22.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.36 131.84 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.02 111.42 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.71 -43.8 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -64.41 -62.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 1.2 mmp_? -68.84 -20.51 64.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 62.81 42.72 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 t -139.38 170.43 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -128.16 138.08 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.4 t -136.83 142.2 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.08 -37.97 69.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 36' ' ' ASP . 50.1 mm -64.29 141.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.518 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 2.2 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 24' ' ' PHE . 22.0 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.73 -179.15 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.15 132.73 40.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.58 -39.66 2.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -69.76 138.69 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -131.33 148.97 52.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ttt -101.33 136.57 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -158.68 167.98 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -138.55 135.36 34.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.9 p -68.67 164.35 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -40.18 -42.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.42 -34.49 74.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 105.09 55.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 29.5 mm -105.19 138.31 19.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.5 Cg_endo -69.78 99.36 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -139.81 152.77 46.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 8' ' ' LEU . 52.0 m-85 -116.95 154.37 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -120.55 130.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.7 m-20 -95.83 104.03 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -66.78 -34.57 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.49 -59.63 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -70.75 -21.66 62.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ASP . 44.6 mtt180 60.36 45.17 11.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -136.23 166.04 24.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -127.85 140.29 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -152.54 157.46 41.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -88.31 -35.23 17.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.52 120.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.203 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 164.13 35.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.318 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -54.44 139.82 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.51 -41.35 3.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.9 m95 -72.62 127.73 33.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.93 157.05 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttt -111.24 132.18 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.439 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 50.4 mtt-85 -158.45 169.93 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -132.27 138.89 48.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.55 165.62 18.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -42.2 -36.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.56 -36.54 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 110.79 42.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.409 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 27.5 mm -95.39 136.88 22.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.76 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.599 2.199 . . . . 0.0 112.377 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.1 p90 -137.22 159.25 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' OD1' ' A' ' 36' ' ' ASP . 40.6 m-85 -121.95 152.42 39.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.84 129.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 4.3 t0 -97.78 124.81 42.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -81.67 -40.97 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -73.33 -50.81 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 18.1 mmt-85 -77.13 -23.53 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 60.13 41.3 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.44 ' HG1' ' N ' ' A' ' 32' ' ' THR . 6.7 t -130.35 158.08 40.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.44 ' N ' ' HG1' ' A' ' 31' ' ' THR . 18.5 p -126.28 133.29 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -151.47 151.12 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.95 -36.54 41.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.7 mt -69.13 126.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.586 ' OD1' ' CE2' ' A' ' 24' ' ' PHE . 4.9 t70 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.82 -179.51 2.99 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -71.23 138.95 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.2 -41.34 3.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.4 m95 -69.44 121.7 17.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 15' ' ' ARG . 20.7 tt0 -114.3 148.28 37.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 ttt -103.12 125.64 49.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NE ' ' OE2' ' A' ' 13' ' ' GLU . 31.9 mtt180 -154.53 176.15 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.93 136.52 44.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -68.79 164.63 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -45.99 -26.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.53 -36.01 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.53 2.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 81.8 mt -102.25 138.49 19.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 54.2 Cg_endo -69.74 102.04 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CE2' ' CG2' ' A' ' 25' ' ' VAL . 1.6 p90 -134.11 150.75 51.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' O ' ' CG2' ' A' ' 32' ' ' THR . 47.6 m-85 -109.17 139.92 43.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 t -116.77 129.95 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.02 131.45 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.47 -47.84 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.45 -52.99 49.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -76.05 -25.49 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 62.32 44.55 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 t -140.22 167.11 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 24' ' ' PHE . 14.7 m -143.62 145.8 32.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -135.44 138.11 42.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.15 -37.94 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.83 131.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.173 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 22.4 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.555 0.693 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.68 176.77 6.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -74.37 129.25 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.29 -38.96 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -70.98 131.98 44.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.296 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 14' ' ' MET . 18.4 tt0 -118.03 151.97 36.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.469 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 2.9 ttt -113.0 132.03 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.554 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 30.1 mtt-85 -156.04 169.04 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 22' ' ' PRO . 39.7 m-85 -132.95 137.86 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.9 p -72.27 175.19 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.43 -62.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.03 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 95.12 58.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.511 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 26.9 mm -102.67 138.28 19.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.85 99.79 0.78 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.0 p90 -136.2 162.6 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.469 ' CE2' ' HE2' ' A' ' 14' ' ' MET . 58.7 m-85 -118.93 162.38 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.1 t -134.26 130.2 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.66 123.34 41.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.19 -42.47 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.38 -50.62 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -78.92 -18.97 52.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 54.18 36.4 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 t -127.98 165.95 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -127.46 128.9 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -130.08 131.35 45.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -58.77 -36.65 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -58.98 147.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.68 171.08 15.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.346 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.77 138.98 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.04 -41.28 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.419 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.523 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.4 m95 -73.96 124.77 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.91 158.71 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.0 ttt -112.96 134.77 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -151.22 174.65 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 132.73 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 p -70.57 175.25 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -46.84 -43.17 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 11.7 m-20 -71.14 -36.06 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.66 37.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 19' ' ' ASP . 4.9 mp -85.73 135.0 38.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.715 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 98.5 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -134.42 151.62 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.58 156.43 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.19 130.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 4.4 t0 -97.34 117.58 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.91 -43.3 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -65.97 -51.1 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -78.65 -25.28 44.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ASP . 32.7 mtp180 57.28 45.73 19.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -131.0 166.33 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -122.93 134.21 54.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.249 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -148.64 149.07 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -83.48 -38.02 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.65 120.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 24' ' ' PHE . 14.1 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.92 133.71 56.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.04 -41.12 2.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.8 m95 -71.43 128.69 36.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.47 167.79 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.421 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 3.5 ttt -125.67 128.26 47.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 83.1 mtt-85 -153.57 174.11 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -134.7 129.82 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 81.3 p -68.75 163.25 24.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 p -38.75 -44.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.27 -38.32 86.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.7 42.49 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 57.7 mt -104.27 138.7 19.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 52.9 Cg_endo -69.82 96.31 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 7.4 p90 -123.87 152.7 42.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 49.3 m-85 -111.2 159.0 18.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.09 130.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.28 127.28 43.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -86.47 -40.82 14.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -71.88 -47.38 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.5 mmt-85 -81.81 -26.23 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 60.62 45.75 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 32' ' ' THR . 7.2 t -130.2 160.93 32.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.435 ' N ' ' HG1' ' A' ' 31' ' ' THR . 10.0 p -128.3 132.16 48.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -146.35 129.97 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 36' ' ' ASP . 38.1 mm -57.64 140.33 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.567 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 17.8 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -55.31 128.83 35.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.37 -42.31 2.09 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.493 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 77.8 m95 -75.3 116.0 15.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.694 0.283 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.76 171.34 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.1 ttt -123.17 129.19 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 16.2 mtp85 -151.72 162.7 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.27 131.24 50.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLY . 70.7 p -68.9 165.56 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 19' ' ' ASP . 20.8 m -42.11 -35.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 18' ' ' VAL . 8.1 m-20 -72.47 -34.96 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 103.5 44.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 53.2 mt -102.25 138.65 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.75 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 12.5 p90 -143.77 150.88 39.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 49.0 m-85 -113.86 154.99 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.06 130.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.7 t0 -97.24 114.15 25.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -75.58 -50.26 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 29' ' ' ARG . 1.4 mmm180 -78.7 -22.22 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 13.4 mtp-105 55.92 44.32 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -130.81 161.82 30.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 p -124.87 129.84 51.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -142.31 154.57 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -88.0 -37.13 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.13 117.88 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.195 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 12.8 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.65 0.738 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.72 -175.07 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 126.36 30.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.32 -42.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.511 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 73.3 m95 -69.53 138.42 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -120.68 168.75 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.5 ttt -123.42 127.08 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 49.3 mtt85 -149.16 169.93 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -137.48 135.91 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.3 p -74.72 169.07 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -39.64 -45.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.06 -36.78 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.42 42.32 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.22 131.12 35.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.31 0.52 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.1 p90 -120.32 151.04 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.46 150.75 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.14 129.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -97.82 125.81 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -77.81 -52.68 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -62.22 -48.85 78.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -75.71 -29.93 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 61.0 42.8 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -129.71 167.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.5 p -130.68 124.97 32.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 t -136.08 141.1 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -73.62 -37.76 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' ASP . 48.6 mm -57.95 141.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 35' ' ' ILE . 2.9 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.602 0.715 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 165.79 29.77 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.763 2.309 . . . . 0.0 112.31 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -62.69 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 -41.06 2.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.1 m95 -72.08 131.83 43.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -114.68 170.36 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttt -129.55 128.56 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.4 mtp180 -150.98 175.96 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -137.13 132.61 34.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -68.67 175.77 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -41.72 -66.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.77 -34.86 9.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 42.4 mt -95.25 138.63 21.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 52.8 Cg_endo -69.85 107.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 9.3 p90 -135.33 152.2 51.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -110.88 157.31 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.4 t -129.09 130.39 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.479 ' OD1' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -97.85 125.73 42.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -83.34 -45.3 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -73.82 -57.14 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -68.11 -24.77 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 58.14 46.13 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -129.31 165.6 21.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.1 p -132.84 133.05 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -150.41 157.61 43.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -91.43 -37.03 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -57.27 128.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.53 0.681 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.71 168.92 20.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.48 144.71 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.86 -43.62 2.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.498 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 86.2 m95 -71.78 116.98 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -118.33 165.3 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.521 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 2.9 ttt -111.43 133.28 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 38.4 mtt180 -156.8 169.22 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -137.24 138.8 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 11.0 p -74.76 169.41 17.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 19' ' ' ASP . 10.1 p -40.91 -43.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 18' ' ' VAL . 9.1 t70 -68.16 -32.7 73.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 104.1 43.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.413 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.26 132.03 35.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 92.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.421 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.7 p90 -127.22 162.88 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE1' ' HE3' ' A' ' 14' ' ' MET . 77.9 m-85 -122.01 149.02 44.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.3 131.43 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.37 123.45 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -78.63 -40.72 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.42 -49.77 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -77.49 -27.37 51.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 4.4 mmm180 62.36 44.07 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -130.32 167.1 19.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 p -131.46 125.96 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 146.47 42.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -75.34 -36.66 60.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.53 139.96 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.805 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' A' ' 24' ' ' PHE . 19.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.81 167.17 25.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.66 131.54 51.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.74 -42.09 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 61.8 m95 -71.59 127.27 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.71 166.2 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -123.17 135.37 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 26.7 mtp85 -154.66 170.2 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -136.0 129.24 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 p -69.57 170.86 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -41.76 -45.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.88 36.98 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt -92.56 130.87 35.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.618 0.723 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 21.6 p90 -118.78 158.08 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 63.9 m-85 -115.61 157.11 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.77 131.36 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.98 127.16 42.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.8 -40.91 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.13 -47.58 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -84.06 -21.74 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 59.18 43.95 16.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -131.68 166.72 20.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 p -131.0 141.66 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -153.11 153.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -84.5 -34.35 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 36' ' ' ASP . 14.1 mt -58.45 138.22 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 13.5 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.825 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.638 0.733 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.0 Cg_endo -69.81 163.06 39.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 133.82 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -38.85 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.5 m95 -71.67 129.88 39.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -122.43 162.69 21.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 6.9 ttp -127.14 146.44 50.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 95.9 mtt180 -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -133.83 128.09 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.0 p -71.74 170.49 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 m -45.6 -31.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -30.16 43.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 102.5 39.17 2.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.3 mt -98.36 129.67 29.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 89.37 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.413 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 18.9 p90 -112.12 147.0 37.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 41.0 m-85 -103.45 153.44 20.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -129.26 130.64 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.93 121.04 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -81.37 -49.26 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -63.79 -54.87 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -75.48 -16.56 60.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 55.61 38.71 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.3 t -128.01 162.43 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 p -123.67 135.77 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -148.47 135.46 20.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.38 123.51 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 7.5 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.74 170.95 15.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 125.22 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.73 -40.96 2.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 31.9 m95 -68.13 127.93 34.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.08 173.41 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttt -135.21 119.63 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -144.09 176.05 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.79 137.35 53.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 p -68.63 165.58 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -44.4 -46.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' HG13 ' A' ' 18' ' ' VAL . 18.3 m-20 -65.11 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.65 32.2 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.2 129.1 34.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 120.53 7.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -144.58 164.91 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG2' ' A' ' 32' ' ' THR . 3.3 m-85 -119.26 141.33 49.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.62 131.13 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -97.21 120.55 37.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -78.21 -57.01 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -52.55 -48.13 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -83.08 -21.42 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 29.0 mtm105 61.78 33.61 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 t -134.22 167.55 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 24' ' ' PHE . 16.9 m -131.72 145.36 51.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -140.58 149.17 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -77.15 -37.87 53.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 36' ' ' ASP . 47.5 mm -59.52 149.68 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' N ' HG21 ' A' ' 35' ' ' ILE . 12.3 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 24' ' ' PHE . 13.1 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.613 0.72 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.2 Cg_endo -69.78 178.1 4.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.278 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -69.53 133.1 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.63 -38.84 2.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.5 m95 -73.85 124.83 26.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.96 169.54 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -124.83 134.34 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 75.8 mtt180 -153.91 167.05 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -136.11 138.95 42.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 p -73.56 168.93 18.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 m -46.68 -45.57 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -65.82 -23.59 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 47.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.09 122.89 52.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 99.22 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.2 p90 -128.89 162.46 27.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 8' ' ' LEU . 58.7 m-85 -117.97 158.94 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.22 130.73 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.85 126.26 43.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -79.78 -41.25 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -72.31 -49.03 37.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 mmt-85 -76.43 -27.21 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 58.18 45.2 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.5 t -133.62 166.52 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -127.42 138.8 53.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -153.97 140.2 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -70.41 -37.93 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 36' ' ' ASP . 26.2 mm -56.93 141.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 35' ' ' ILE . 9.4 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.7 Cg_endo -69.83 177.34 5.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -73.43 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.65 -40.05 2.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.6 m95 -70.82 133.69 46.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.759 0.314 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -121.89 164.26 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.0 ttp -126.35 140.54 52.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -157.55 174.49 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.05 132.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.5 t -72.28 164.7 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.21 -22.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.49 -35.74 34.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.15 35.01 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mm -100.54 127.0 33.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.367 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -121.82 144.69 48.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 23.7 m-85 -101.4 145.45 28.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -118.37 130.66 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -97.77 134.48 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -97.39 -41.7 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -50.61 66.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 30' ' ' ARG . 15.9 mmt-85 -95.61 -16.58 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CD ' ' C ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 64.42 40.6 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.439 ' HG1' ' N ' ' A' ' 32' ' ' THR . 7.4 t -121.39 160.04 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.439 ' N ' ' HG1' ' A' ' 31' ' ' THR . 17.4 p -119.57 124.4 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -135.17 130.65 35.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -62.79 -37.7 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 36' ' ' ASP . 11.1 mt -60.47 135.62 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.59 0.71 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.73 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -74.79 128.1 34.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.8 -38.8 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 47.3 m95 -71.3 133.44 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -124.29 170.45 10.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttp -131.04 136.19 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 36.3 mtp85 -151.87 175.17 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -138.32 133.13 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -68.97 170.65 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.88 -25.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 -30.59 27.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.76 30.78 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.547 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.29 122.66 67.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 112.46 3.07 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ARG . 2.2 p90 -138.03 146.76 43.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 32' ' ' THR . 28.4 m-85 -103.58 146.91 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.79 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -97.85 126.44 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -79.83 -48.92 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -64.84 -47.14 79.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mmt-85 -78.78 -20.23 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 57.77 36.27 26.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.7 t -135.48 165.8 24.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' PHE . 38.6 m -135.84 144.52 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' HG21 ' A' ' 32' ' ' THR . 15.3 t -149.84 139.34 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.6 -34.41 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.3 mt -55.25 135.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.78 173.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 144.0 57.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.97 -38.58 2.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CZ2' ' OD2' ' A' ' 26' ' ' ASP . 41.2 m95 -70.12 128.77 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt -129.67 123.34 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.3 mtt-85 -138.22 175.42 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -130.55 136.33 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.8 p -68.69 161.93 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 19' ' ' ASP . 6.1 p -42.05 -33.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.464 ' N ' HG13 ' A' ' 18' ' ' VAL . 45.3 m-20 -73.2 -38.13 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 111.84 42.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 36.2 mm -101.87 138.38 19.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.75 105.08 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.2 p90 -137.61 158.3 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -116.72 173.27 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -143.52 130.54 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.568 ' OD2' ' CZ2' ' A' ' 12' ' ' TRP . 6.1 t0 -97.82 113.33 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -71.37 -50.24 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.0 -49.27 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 5.2 mmm180 -79.83 -24.25 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ASP . 75.8 mtt180 60.58 42.56 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -134.48 166.05 23.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -122.89 128.1 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -140.0 144.46 36.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -86.51 -32.46 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mm -67.75 118.4 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.575 0.703 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.71 174.8 8.94 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -71.48 125.16 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 -40.49 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -71.92 139.19 48.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -126.13 157.89 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.465 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 2.5 ttt -110.35 139.47 45.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 32.7 mtp180 -157.25 167.83 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -130.76 131.69 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 20' ' ' GLY . 82.7 p -68.63 165.71 18.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 19' ' ' ASP . 5.7 p -43.14 -32.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 18' ' ' VAL . 3.0 t0 -74.38 -37.24 63.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.93 41.12 1.46 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.3 mt -99.68 134.6 20.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 8.9 p90 -120.33 149.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 38.5 m-85 -108.99 143.86 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 46.1 t -119.86 130.74 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 5.8 t0 -92.61 106.03 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -65.6 -42.42 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -69.26 -65.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 8.4 mmm180 -63.97 -17.33 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 56.2 44.23 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -132.93 163.71 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -123.61 133.01 54.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -150.61 137.82 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -69.65 -33.55 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 36' ' ' ASP . 50.8 mm -57.39 143.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.598 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 10.9 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -57.41 127.47 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -127.66 150.86 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.97 -151.74 8.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -104.49 102.68 12.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -51.52 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 64.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.23 154.79 51.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.76 179.08 3.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.613 2.209 . . . . 0.0 112.37 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.04 128.02 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.24 -39.87 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 75.2 m95 -75.79 128.41 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 159.25 25.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.516 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 2.3 ttt -111.69 129.05 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -155.4 170.49 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.81 137.21 43.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.86 166.32 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.39 -44.35 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -68.31 -35.59 78.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 109.7 44.1 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 28.5 mm -95.6 138.62 21.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.8 Cg_endo -69.69 100.65 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -135.86 152.36 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.516 ' CE1' ' HE2' ' A' ' 14' ' ' MET . 79.2 m-85 -113.43 152.12 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -124.05 131.21 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.68 124.51 42.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -80.27 -40.76 26.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -72.54 -50.51 25.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -76.2 -24.97 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 58.87 45.5 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.56 171.02 14.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 135.98 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -143.79 151.3 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.58 -37.95 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.33 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.204 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 6.2 t0 -78.74 141.7 60.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.6 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.341 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 mtm180 -57.16 -59.29 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.4 m -64.79 -64.69 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -88.11 152.05 22.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -119.15 177.47 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 -178.97 40.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -76.35 177.12 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 p -131.52 147.11 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.07 81.39 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -98.88 155.83 36.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.82 166.81 26.43 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.779 2.319 . . . . 0.0 112.264 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -61.89 128.0 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.57 -42.38 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.55 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.6 m95 -73.85 132.8 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.702 0.287 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -127.91 155.49 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttt -101.09 130.83 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -152.64 170.45 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 22' ' ' PRO . 55.8 m-85 -141.68 136.26 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.7 p -68.73 171.02 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -44.14 -43.21 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 2.1 m-20 -66.4 -38.64 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.83 36.35 1.71 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 5.2 mp -90.12 138.68 27.31 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.694 0.759 . . . . 0.0 111.1 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.77 108.65 2.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -144.38 153.48 41.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 48.2 m-85 -112.84 156.94 22.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.36 131.84 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.02 111.42 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.71 -43.8 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -64.41 -62.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 1.2 mmp_? -68.84 -20.51 64.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 62.81 42.72 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 t -139.38 170.43 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -128.16 138.08 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.4 t -136.83 142.2 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.08 -37.97 69.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 36' ' ' ASP . 50.1 mm -64.29 141.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 2.2 t70 -78.88 143.55 62.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.969 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 53.1 Cg_endo -69.75 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.288 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -43.47 -43.99 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.771 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 40' ' ' GLY . 9.0 t -75.99 -33.33 59.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' N ' HG21 ' A' ' 39' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -122.4 159.01 28.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -143.84 174.14 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.37 -76.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -124.98 146.97 49.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -123.56 116.7 23.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.93 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 24' ' ' PHE . 22.0 mt -86.87 154.9 55.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.73 -179.15 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.15 132.73 40.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.58 -39.66 2.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -69.76 138.69 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -131.33 148.97 52.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ttt -101.33 136.57 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -158.68 167.98 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -138.55 135.36 34.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.9 p -68.67 164.35 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -40.18 -42.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.42 -34.49 74.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 105.09 55.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 29.5 mm -105.19 138.31 19.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.5 Cg_endo -69.78 99.36 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -139.81 152.77 46.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 8' ' ' LEU . 52.0 m-85 -116.95 154.37 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -120.55 130.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.7 m-20 -95.83 104.03 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -66.78 -34.57 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.49 -59.63 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -70.75 -21.66 62.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ASP . 44.6 mtt180 60.36 45.17 11.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -136.23 166.04 24.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -127.85 140.29 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -152.54 157.46 41.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -88.31 -35.23 17.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 HG22 ' C ' ' A' ' 40' ' ' GLY . 14.6 mt -55.52 120.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.203 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.7 t70 -65.15 140.13 97.85 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.8 Cg_endo -69.82 -25.07 28.69 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -88.41 -37.87 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p -154.34 104.5 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -62.66 124.39 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -95.63 142.45 27.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.53 -84.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -112.59 160.3 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -83.44 -43.08 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.45 61.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.6 mt -91.06 153.8 44.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 164.13 35.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.318 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -54.44 139.82 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.51 -41.35 3.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.9 m95 -72.62 127.73 33.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.93 157.05 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttt -111.24 132.18 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.439 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 50.4 mtt-85 -158.45 169.93 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -132.27 138.89 48.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.55 165.62 18.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -42.2 -36.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.56 -36.54 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 110.79 42.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.409 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 27.5 mm -95.39 136.88 22.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.76 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.599 2.199 . . . . 0.0 112.377 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.1 p90 -137.22 159.25 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' OD1' ' A' ' 36' ' ' ASP . 40.6 m-85 -121.95 152.42 39.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.5 t -123.84 129.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 4.3 t0 -97.78 124.81 42.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -81.67 -40.97 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -73.33 -50.81 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 18.1 mmt-85 -77.13 -23.53 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 60.13 41.3 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.44 ' HG1' ' N ' ' A' ' 32' ' ' THR . 6.7 t -130.35 158.08 40.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.44 ' N ' ' HG1' ' A' ' 31' ' ' THR . 18.5 p -126.28 133.29 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -151.47 151.12 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.95 -36.54 41.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.7 mt -69.13 126.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.586 ' OD1' ' CE2' ' A' ' 24' ' ' PHE . 4.9 t70 -81.63 141.06 48.02 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HG3' ' CD2' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 -36.65 10.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 14.2 mtp-105 -37.67 -46.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.1 p -84.07 -44.48 14.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.437 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -85.0 -57.47 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -153.55 134.55 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.98 -54.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -130.89 153.25 49.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -77.29 -55.18 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.42 41.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.93 155.32 61.22 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.82 -179.51 2.99 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -71.23 138.95 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.2 -41.34 3.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.4 m95 -69.44 121.7 17.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 15' ' ' ARG . 20.7 tt0 -114.3 148.28 37.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 ttt -103.12 125.64 49.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NE ' ' OE2' ' A' ' 13' ' ' GLU . 31.9 mtt180 -154.53 176.15 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.93 136.52 44.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -68.79 164.63 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -45.99 -26.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.53 -36.01 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.53 2.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 81.8 mt -102.25 138.49 19.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 54.2 Cg_endo -69.74 102.04 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CE2' ' CG2' ' A' ' 25' ' ' VAL . 1.6 p90 -134.11 150.75 51.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' O ' ' CG2' ' A' ' 32' ' ' THR . 47.6 m-85 -109.17 139.92 43.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 t -116.77 129.95 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.02 131.45 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.47 -47.84 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.45 -52.99 49.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -76.05 -25.49 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 62.32 44.55 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 t -140.22 167.11 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 24' ' ' PHE . 14.7 m -143.62 145.8 32.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -135.44 138.11 42.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.15 -37.94 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.83 131.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.173 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -57.71 138.33 82.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.76 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -45.06 -65.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 40' ' ' GLY . 11.0 t -43.56 -33.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 39' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 N-CA-C 112.419 -0.272 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -67.04 -43.72 82.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -66.94 125.59 26.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.3 56.64 0.98 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -75.99 -57.16 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -68.57 -47.88 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . 158.72 45.05 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 22.4 mt -99.26 156.16 35.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.68 176.77 6.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -74.37 129.25 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.29 -38.96 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -70.98 131.98 44.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.296 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 14' ' ' MET . 18.4 tt0 -118.03 151.97 36.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 2.9 ttt -113.0 132.03 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 30.1 mtt-85 -156.04 169.04 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 22' ' ' PRO . 39.7 m-85 -132.95 137.86 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.9 p -72.27 175.19 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.43 -62.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.03 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 95.12 58.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.511 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 26.9 mm -102.67 138.28 19.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.85 99.79 0.78 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.0 p90 -136.2 162.6 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CE1' ' HD2' ' A' ' 37' ' ' PRO . 58.7 m-85 -118.93 162.38 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.1 t -134.26 130.2 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.66 123.34 41.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.19 -42.47 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.38 -50.62 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -78.92 -18.97 52.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 54.18 36.4 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.9 t -127.98 165.95 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -127.46 128.9 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -130.08 131.35 45.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -58.77 -36.65 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -58.98 147.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -87.6 138.45 31.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 53.6 Cg_endo -69.74 -48.67 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 4.6 mmt85 -36.43 -66.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 40' ' ' GLY . 9.9 t -74.5 -30.11 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 39' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -125.08 147.95 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.932 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -99.61 104.95 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 46.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -47.95 -48.57 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -90.68 -40.62 11.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.45 60.77 1.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -150.69 152.95 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.68 171.08 15.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.346 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.77 138.98 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.04 -41.28 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.419 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CE3' ' HB3' ' A' ' 37' ' ' PRO . 76.4 m95 -73.96 124.77 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.91 158.71 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.0 ttt -112.96 134.77 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -151.22 174.65 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 132.73 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 p -70.57 175.25 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -46.84 -43.17 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 11.7 m-20 -71.14 -36.06 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.66 37.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 19' ' ' ASP . 4.9 mp -85.73 135.0 38.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.715 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 98.5 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -134.42 151.62 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CD2' ' HD3' ' A' ' 37' ' ' PRO . 60.7 m-85 -112.58 156.43 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.19 130.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' ARG . 4.4 t0 -97.34 117.58 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.91 -43.3 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -65.97 -51.1 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -78.65 -25.28 44.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 26' ' ' ASP . 32.7 mtp180 57.28 45.73 19.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -131.0 166.33 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -122.93 134.21 54.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.249 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -148.64 149.07 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -83.48 -38.02 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.65 120.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.1 t70 -56.5 141.81 71.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' HD3' ' CD2' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -51.5 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.49 104.29 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -88.56 -53.87 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 56.5 41.66 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.9 55.15 4.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 p -46.94 -35.24 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -104.22 172.55 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.7 40.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 24' ' ' PHE . 14.1 mt -78.93 152.92 77.54 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.92 133.71 56.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.04 -41.12 2.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CE3' ' HG3' ' A' ' 37' ' ' PRO . 68.8 m95 -71.43 128.69 36.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.47 167.79 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.421 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 3.5 ttt -125.67 128.26 47.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 83.1 mtt-85 -153.57 174.11 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -134.7 129.82 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 81.3 p -68.75 163.25 24.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 p -38.75 -44.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.27 -38.32 86.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.7 42.49 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 57.7 mt -104.27 138.7 19.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 52.9 Cg_endo -69.82 96.31 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 7.4 p90 -123.87 152.7 42.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 49.3 m-85 -111.2 159.0 18.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.09 130.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -97.28 127.28 43.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -86.47 -40.82 14.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -71.88 -47.38 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.5 mmt-85 -81.81 -26.23 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 60.62 45.75 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 32' ' ' THR . 7.2 t -130.2 160.93 32.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.435 ' N ' ' HG1' ' A' ' 31' ' ' THR . 10.0 p -128.3 132.16 48.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -146.35 129.97 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 36' ' ' ASP . 38.1 mm -57.64 140.33 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.567 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 17.8 t0 -82.21 135.79 47.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 2.9 mmt85 -34.31 -61.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.3 p -81.88 -46.33 14.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 m -98.77 120.71 39.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.922 0.392 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -105.72 103.89 13.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.08 143.33 9.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -156.24 142.61 18.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -77.48 -38.23 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.09 87.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.56 155.12 50.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -55.31 128.83 35.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.37 -42.31 2.09 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.493 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 77.8 m95 -75.3 116.0 15.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.694 0.283 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.76 171.34 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.1 ttt -123.17 129.19 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 16.2 mtp85 -151.72 162.7 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.27 131.24 50.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLY . 70.7 p -68.9 165.56 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 19' ' ' ASP . 20.8 m -42.11 -35.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 18' ' ' VAL . 8.1 m-20 -72.47 -34.96 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 103.5 44.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 53.2 mt -102.25 138.65 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.75 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 12.5 p90 -143.77 150.88 39.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 49.0 m-85 -113.86 154.99 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.06 130.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.7 t0 -97.24 114.15 25.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -75.58 -50.26 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 29' ' ' ARG . 1.4 mmm180 -78.7 -22.22 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 13.4 mtp-105 55.92 44.32 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -130.81 161.82 30.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 p -124.87 129.84 51.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -142.31 154.57 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -88.0 -37.13 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 40' ' ' GLY . 49.2 mm -62.13 117.88 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' GLY . 12.8 t70 -65.62 139.15 96.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.65 0.738 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.97 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.771 2.314 . . . . 0.0 112.261 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -45.65 -48.26 14.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.7 t -95.27 -21.16 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.466 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -60.64 146.15 46.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -58.69 165.17 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 102.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -50.04 -50.19 48.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.77 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -69.67 -45.74 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.7 62.81 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -81.32 159.6 67.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.72 -175.07 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 126.36 30.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.32 -42.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.511 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 73.3 m95 -69.53 138.42 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -120.68 168.75 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.5 ttt -123.42 127.08 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 49.3 mtt85 -149.16 169.93 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -137.48 135.91 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.3 p -74.72 169.07 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 p -39.64 -45.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.06 -36.78 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.42 42.32 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.22 131.12 35.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.31 0.52 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.1 p90 -120.32 151.04 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.46 150.75 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.14 129.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -97.82 125.81 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -77.81 -52.68 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -62.22 -48.85 78.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -75.71 -29.93 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 61.0 42.8 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -129.71 167.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.5 p -130.68 124.97 32.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 t -136.08 141.1 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -73.62 -37.76 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' ASP . 48.6 mm -57.95 141.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 2.9 t70 -85.72 143.49 38.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.6 Cg_endo -69.84 -50.79 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 43.2 mtp85 -44.42 -63.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -61.06 -44.06 97.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -88.77 169.79 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -126.42 149.96 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 -59.75 1.56 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -88.16 137.37 32.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m 58.43 42.95 20.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.86 48.42 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.73 155.5 69.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 165.79 29.77 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.763 2.309 . . . . 0.0 112.31 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -62.69 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 -41.06 2.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.1 m95 -72.08 131.83 43.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -114.68 170.36 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttt -129.55 128.56 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.4 mtp180 -150.98 175.96 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -137.13 132.61 34.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -68.67 175.77 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -41.72 -66.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.77 -34.86 9.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 42.4 mt -95.25 138.63 21.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 52.8 Cg_endo -69.85 107.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 9.3 p90 -135.33 152.2 51.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -110.88 157.31 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.4 t -129.09 130.39 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.479 ' OD1' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -97.85 125.73 42.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -83.34 -45.3 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -73.82 -57.14 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -68.11 -24.77 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 58.14 46.13 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -129.31 165.6 21.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.1 p -132.84 133.05 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -150.41 157.61 43.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -91.43 -37.03 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 40' ' ' GLY . 5.3 mp -57.27 128.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.94 129.79 93.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -44.22 2.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -46.23 -60.21 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -157.99 107.18 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 m -127.95 124.3 36.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -92.18 145.08 24.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 159.57 33.67 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 p -100.19 155.08 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -61.22 -60.28 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.9 45.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.529 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.93 152.74 72.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.53 0.681 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.71 168.92 20.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.48 144.71 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.86 -43.62 2.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.498 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 86.2 m95 -71.78 116.98 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -118.33 165.3 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.521 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 2.9 ttt -111.43 133.28 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 38.4 mtt180 -156.8 169.22 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -137.24 138.8 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 11.0 p -74.76 169.41 17.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 19' ' ' ASP . 10.1 p -40.91 -43.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 18' ' ' VAL . 9.1 t70 -68.16 -32.7 73.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 104.1 43.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.413 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.26 132.03 35.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 92.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.421 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.7 p90 -127.22 162.88 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE1' ' HE3' ' A' ' 14' ' ' MET . 77.9 m-85 -122.01 149.02 44.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.3 131.43 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.37 123.45 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -78.63 -40.72 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.42 -49.77 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -77.49 -27.37 51.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 4.4 mmm180 62.36 44.07 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -130.32 167.1 19.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 p -131.46 125.96 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 146.47 42.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -75.34 -36.66 60.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.53 139.96 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 6.4 t70 -80.77 141.7 51.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.8 Cg_endo -69.66 -48.89 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 82.0 mtm180 -46.03 -44.62 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.2 m -89.01 -58.05 2.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -145.58 170.58 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -101.42 129.35 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.79 -148.65 19.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -164.88 156.65 15.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -61.55 157.67 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.6 62.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' A' ' 24' ' ' PHE . 19.7 mt -74.16 149.76 87.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.81 167.17 25.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.66 131.54 51.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.74 -42.09 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 61.8 m95 -71.59 127.27 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.71 166.2 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -123.17 135.37 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 26.7 mtp85 -154.66 170.2 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -136.0 129.24 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 p -69.57 170.86 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -41.76 -45.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.88 36.98 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt -92.56 130.87 35.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.618 0.723 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 21.6 p90 -118.78 158.08 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 63.9 m-85 -115.61 157.11 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.77 131.36 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.98 127.16 42.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.8 -40.91 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.13 -47.58 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -84.06 -21.74 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 59.18 43.95 16.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -131.68 166.72 20.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 p -131.0 141.66 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -153.11 153.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -84.5 -34.35 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 36' ' ' ASP . 14.1 mt -58.45 138.22 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 13.5 t70 -76.22 136.7 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -29.66 23.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 15.3 mtp-105 -73.39 -48.47 33.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -53.32 9.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -150.67 170.48 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -144.33 173.68 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -54.45 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 61.49 42.11 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 m -107.55 162.28 14.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.77 51.18 2.92 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 mt -113.93 149.04 41.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.638 0.733 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.0 Cg_endo -69.81 163.06 39.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 133.82 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -38.85 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.5 m95 -71.67 129.88 39.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -122.43 162.69 21.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 6.9 ttp -127.14 146.44 50.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 95.9 mtt180 -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -133.83 128.09 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.0 p -71.74 170.49 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 m -45.6 -31.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -30.16 43.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 102.5 39.17 2.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.3 mt -98.36 129.67 29.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 89.37 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.413 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 18.9 p90 -112.12 147.0 37.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 41.0 m-85 -103.45 153.44 20.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -129.26 130.64 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.93 121.04 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -81.37 -49.26 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -63.79 -54.87 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -75.48 -16.56 60.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 55.61 38.71 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.3 t -128.01 162.43 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 p -123.67 135.77 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -148.47 135.46 20.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.38 123.51 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 7.5 t70 -57.35 142.01 76.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.75 -47.28 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -54.97 -51.5 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -74.72 -56.57 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -140.93 118.1 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t 58.65 41.2 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.99 90.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -99.41 118.84 36.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -53.03 -51.69 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.51 61.16 0.39 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.57 156.14 70.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.74 170.95 15.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 125.22 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.73 -40.96 2.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 31.9 m95 -68.13 127.93 34.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.08 173.41 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttt -135.21 119.63 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -144.09 176.05 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.79 137.35 53.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 p -68.63 165.58 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -44.4 -46.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' HG13 ' A' ' 18' ' ' VAL . 18.3 m-20 -65.11 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.65 32.2 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.2 129.1 34.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 120.53 7.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -144.58 164.91 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG2' ' A' ' 32' ' ' THR . 3.3 m-85 -119.26 141.33 49.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.62 131.13 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -97.21 120.55 37.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -78.21 -57.01 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -52.55 -48.13 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -83.08 -21.42 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 29.0 mtm105 61.78 33.61 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.7 t -134.22 167.55 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 24' ' ' PHE . 16.9 m -131.72 145.36 51.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -140.58 149.17 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -77.15 -37.87 53.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 36' ' ' ASP . 47.5 mm -59.52 149.68 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.466 ' N ' HG21 ' A' ' 35' ' ' ILE . 12.3 t70 -90.99 138.33 26.12 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -30.36 22.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -76.18 -34.27 59.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.5 p -150.02 102.22 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -71.2 150.16 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.6 p -45.04 -46.94 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.99 -178.56 34.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -62.48 125.05 22.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.761 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -61.24 -45.93 92.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.29 -41.06 1.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 24' ' ' PHE . 13.1 mt -63.16 152.98 83.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.2 Cg_endo -69.78 178.1 4.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.278 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -69.53 133.1 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.63 -38.84 2.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.5 m95 -73.85 124.83 26.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.96 169.54 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -124.83 134.34 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 75.8 mtt180 -153.91 167.05 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -136.11 138.95 42.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 p -73.56 168.93 18.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.4 m -46.68 -45.57 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -65.82 -23.59 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 47.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.09 122.89 52.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 99.22 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.2 p90 -128.89 162.46 27.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 8' ' ' LEU . 58.7 m-85 -117.97 158.94 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.22 130.73 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.85 126.26 43.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -79.78 -41.25 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -72.31 -49.03 37.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 mmt-85 -76.43 -27.21 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 58.18 45.2 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.5 t -133.62 166.52 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -127.42 138.8 53.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -153.97 140.2 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -70.41 -37.93 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 36' ' ' ASP . 26.2 mm -56.93 141.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 35' ' ' ILE . 9.4 t70 -83.76 140.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.2 Cg_endo -69.77 -42.02 3.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 65.5 mtm180 -57.41 -63.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 m -74.45 -58.88 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -103.29 114.7 29.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -131.22 172.82 11.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.79 -55.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m 63.46 42.2 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -95.06 169.07 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.43 70.26 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -84.62 152.66 60.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.7 Cg_endo -69.83 177.34 5.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -73.43 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.65 -40.05 2.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.6 m95 -70.82 133.69 46.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.759 0.314 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -121.89 164.26 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.0 ttp -126.35 140.54 52.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -157.55 174.49 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.05 132.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.5 t -72.28 164.7 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.21 -22.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.49 -35.74 34.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.15 35.01 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mm -100.54 127.0 33.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.367 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -121.82 144.69 48.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 23.7 m-85 -101.4 145.45 28.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -118.37 130.66 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -97.77 134.48 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -97.39 -41.7 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -50.61 66.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 30' ' ' ARG . 15.9 mmt-85 -95.61 -16.58 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CD ' ' C ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 64.42 40.6 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.439 ' HG1' ' N ' ' A' ' 32' ' ' THR . 7.4 t -121.39 160.04 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.439 ' N ' ' HG1' ' A' ' 31' ' ' THR . 17.4 p -119.57 124.4 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -135.17 130.65 35.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -62.79 -37.7 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 36' ' ' ASP . 11.1 mt -60.47 135.62 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -73.63 140.86 78.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.59 0.71 . . . . 0.0 110.8 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.76 -49.32 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PRO . 40.2 mtp180 -34.07 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 40' ' ' GLY . 9.0 t -68.65 -31.27 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 39' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -135.23 149.12 49.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -44.21 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.48 88.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -80.84 160.82 24.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -125.74 170.39 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.88 81.41 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.562 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.02 152.51 38.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.73 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -74.79 128.1 34.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.8 -38.8 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 47.3 m95 -71.3 133.44 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -124.29 170.45 10.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttp -131.04 136.19 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 36.3 mtp85 -151.87 175.17 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -138.32 133.13 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -68.97 170.65 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.88 -25.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 -30.59 27.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.76 30.78 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.547 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.29 122.66 67.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 112.46 3.07 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 15' ' ' ARG . 2.2 p90 -138.03 146.76 43.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' O ' ' CG2' ' A' ' 32' ' ' THR . 28.4 m-85 -103.58 146.91 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.79 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -97.85 126.44 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -79.83 -48.92 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -64.84 -47.14 79.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mmt-85 -78.78 -20.23 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 57.77 36.27 26.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.7 t -135.48 165.8 24.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' PHE . 38.6 m -135.84 144.52 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' HG21 ' A' ' 32' ' ' THR . 15.3 t -149.84 139.34 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.6 -34.41 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG2' ' C ' ' A' ' 40' ' ' GLY . 18.3 mt -55.25 135.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.92 136.77 69.77 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -85.71 -35.65 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p -151.73 103.26 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -59.12 150.75 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -103.32 145.18 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 55.54 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -120.63 135.11 55.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 0.0 110.794 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -61.4 -59.27 5.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.99 41.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.2 mt -72.79 156.15 90.14 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.78 173.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 144.0 57.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.97 -38.58 2.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CZ2' ' OD2' ' A' ' 26' ' ' ASP . 41.2 m95 -70.12 128.77 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt -129.67 123.34 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.3 mtt-85 -138.22 175.42 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -130.55 136.33 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.8 p -68.69 161.93 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 19' ' ' ASP . 6.1 p -42.05 -33.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.464 ' N ' HG13 ' A' ' 18' ' ' VAL . 45.3 m-20 -73.2 -38.13 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 111.84 42.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 36.2 mm -101.87 138.38 19.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.75 105.08 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.2 p90 -137.61 158.3 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -116.72 173.27 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -143.52 130.54 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.568 ' OD2' ' CZ2' ' A' ' 12' ' ' TRP . 6.1 t0 -97.82 113.33 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -71.37 -50.24 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.0 -49.27 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 5.2 mmm180 -79.83 -24.25 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ASP . 75.8 mtt180 60.58 42.56 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -134.48 166.05 23.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -122.89 128.1 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -140.0 144.46 36.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -86.51 -32.46 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mm -67.75 118.4 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CG ' ' HG2' ' A' ' 38' ' ' ARG . 12.6 t0 -67.51 116.94 42.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -36.42 10.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 39' ' ' THR . 9.0 ptm180 -52.62 -40.03 62.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 15.1 t -96.31 -36.63 10.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -66.5 -43.95 83.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -61.59 117.43 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.25 96.51 0.71 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -68.4 -30.92 69.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -58.23 169.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.11 58.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.445 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.05 153.85 92.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.703 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.71 174.8 8.94 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -71.48 125.16 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 -40.49 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -71.92 139.19 48.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -126.13 157.89 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.465 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 2.5 ttt -110.35 139.47 45.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 32.7 mtp180 -157.25 167.83 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -130.76 131.69 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 20' ' ' GLY . 82.7 p -68.63 165.71 18.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 19' ' ' ASP . 5.7 p -43.14 -32.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 18' ' ' VAL . 3.0 t0 -74.38 -37.24 63.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.93 41.12 1.46 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.3 mt -99.68 134.6 20.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 8.9 p90 -120.33 149.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 38.5 m-85 -108.99 143.86 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 46.1 t -119.86 130.74 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 5.8 t0 -92.61 106.03 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -65.6 -42.42 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -69.26 -65.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 8.4 mmm180 -63.97 -17.33 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 56.2 44.23 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -132.93 163.71 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -123.61 133.01 54.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -150.61 137.82 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -69.65 -33.55 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 36' ' ' ASP . 50.8 mm -57.39 143.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.598 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 10.9 t0 -93.2 123.82 59.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 12' ' ' TRP . 53.1 Cg_endo -69.79 -40.42 5.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 39' ' ' THR . 15.1 ptt180 -65.72 -46.85 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 2.9 t -157.65 105.89 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.76 179.08 3.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.613 2.209 . . . . 0.0 112.37 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.04 128.02 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.24 -39.87 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 75.2 m95 -75.79 128.41 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 159.25 25.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttt -111.69 129.05 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -155.4 170.49 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.81 137.21 43.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.86 166.32 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.8 p -40.39 -44.35 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' N ' HG13 ' A' ' 18' ' ' VAL . 3.2 t0 -68.31 -35.59 78.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 109.7 44.1 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.67 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.5 mm -95.6 138.62 21.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.8 Cg_endo -69.69 100.65 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -135.86 152.36 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -113.43 152.12 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -124.05 131.21 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.5 t0 -97.68 124.51 42.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -80.27 -40.76 26.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -72.54 -50.51 25.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 3.7 mmm180 -76.2 -24.97 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 58.87 45.5 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.56 171.02 14.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 135.98 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -143.79 151.3 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.58 -37.95 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.33 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.204 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.82 166.81 26.43 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.779 2.319 . . . . 0.0 112.264 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -61.89 128.0 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.57 -42.38 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.6 m95 -73.85 132.8 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.702 0.287 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -127.91 155.49 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttt -101.09 130.83 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -152.64 170.45 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -141.68 136.26 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.7 p -68.73 171.02 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 19' ' ' ASP . 18.6 m -44.14 -43.21 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.495 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 2.1 m-20 -66.4 -38.64 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.83 36.35 1.71 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 22' ' ' PRO . 5.2 mp -90.12 138.68 27.31 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.694 0.759 . . . . 0.0 111.1 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.77 108.65 2.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -144.38 153.48 41.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 48.2 m-85 -112.84 156.94 22.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.36 131.84 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.02 111.42 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.71 -43.8 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -64.41 -62.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 1.2 mmp_? -68.84 -20.51 64.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 62.81 42.72 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 t -139.38 170.43 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -128.16 138.08 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.503 HG21 ' HH2' ' A' ' 12' ' ' TRP . 7.4 t -136.83 142.2 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.08 -37.97 69.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.29 141.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 2.2 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.412 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.0 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.73 -179.15 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.15 132.73 40.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.58 -39.66 2.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -69.76 138.69 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -131.33 148.97 52.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ttt -101.33 136.57 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -158.68 167.98 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -138.55 135.36 34.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.9 p -68.67 164.35 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.1 p -40.18 -42.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 18' ' ' VAL . 10.4 m-20 -69.42 -34.49 74.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 105.09 55.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 22' ' ' PRO . 29.5 mm -105.19 138.31 19.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.5 Cg_endo -69.78 99.36 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -139.81 152.77 46.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' HD21 ' A' ' 8' ' ' LEU . 52.0 m-85 -116.95 154.37 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -120.55 130.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.7 m-20 -95.83 104.03 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -66.78 -34.57 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -76.49 -59.63 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -70.75 -21.66 62.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ASP . 44.6 mtt180 60.36 45.17 11.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -136.23 166.04 24.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -127.85 140.29 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -152.54 157.46 41.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -88.31 -35.23 17.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.52 120.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.203 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 164.13 35.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.318 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -54.44 139.82 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.51 -41.35 3.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.9 m95 -72.62 127.73 33.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.93 157.05 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttt -111.24 132.18 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.439 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 50.4 mtt-85 -158.45 169.93 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -132.27 138.89 48.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.55 165.62 18.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -42.2 -36.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.56 -36.54 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 110.79 42.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 22' ' ' PRO . 27.5 mm -95.39 136.88 22.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.76 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.599 2.199 . . . . 0.0 112.377 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.1 p90 -137.22 159.25 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' OD1' ' A' ' 36' ' ' ASP . 40.6 m-85 -121.95 152.42 39.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 32' ' ' THR . 57.5 t -123.84 129.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 4.3 t0 -97.78 124.81 42.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -81.67 -40.97 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -73.33 -50.81 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.1 mmt-85 -77.13 -23.53 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 60.13 41.3 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 29' ' ' ARG . 6.7 t -130.35 158.08 40.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.46 HG22 HG22 ' A' ' 25' ' ' VAL . 18.5 p -126.28 133.29 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -151.47 151.12 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.95 -36.54 41.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.7 mt -69.13 126.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.586 ' OD1' ' CE2' ' A' ' 24' ' ' PHE . 4.9 t70 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 24' ' ' PHE . 11.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.82 -179.51 2.99 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -71.23 138.95 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.2 -41.34 3.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.4 m95 -69.44 121.7 17.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 15' ' ' ARG . 20.7 tt0 -114.3 148.28 37.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 ttt -103.12 125.64 49.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NE ' ' OE2' ' A' ' 13' ' ' GLU . 31.9 mtt180 -154.53 176.15 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.93 136.52 44.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -68.79 164.63 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -45.99 -26.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.53 -36.01 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.53 2.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 22' ' ' PRO . 81.8 mt -102.25 138.49 19.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.2 Cg_endo -69.74 102.04 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.6 p90 -134.11 150.75 51.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.011 ' O ' HG23 ' A' ' 32' ' ' THR . 47.6 m-85 -109.17 139.92 43.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 t -116.77 129.95 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.02 131.45 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.47 -47.84 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.45 -52.99 49.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -76.05 -25.49 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 62.32 44.55 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 t -140.22 167.11 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 24' ' ' PHE . 14.7 m -143.62 145.8 32.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -135.44 138.11 42.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.15 -37.94 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.83 131.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.173 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.4 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.555 0.693 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.68 176.77 6.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -74.37 129.25 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.29 -38.96 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -70.98 131.98 44.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.296 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 14' ' ' MET . 18.4 tt0 -118.03 151.97 36.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.46 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 2.9 ttt -113.0 132.03 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.554 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 30.1 mtt-85 -156.04 169.04 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -132.95 137.86 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.9 p -72.27 175.19 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.43 -62.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.03 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 95.12 58.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.511 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 22' ' ' PRO . 26.9 mm -102.67 138.28 19.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.85 99.79 0.78 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.0 p90 -136.2 162.6 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -118.93 162.38 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.1 t -134.26 130.2 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.66 123.34 41.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.19 -42.47 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.38 -50.62 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.4 mmt-85 -78.92 -18.97 52.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 54.18 36.4 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 29' ' ' ARG . 12.9 t -127.98 165.95 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -127.46 128.9 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -130.08 131.35 45.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -58.77 -36.65 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -58.98 147.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 14' ' ' MET . 13.8 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.68 171.08 15.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.346 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.77 138.98 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.04 -41.28 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.419 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.4 m95 -73.96 124.77 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.91 158.71 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.406 ' HB2' HD11 ' A' ' 8' ' ' LEU . 5.0 ttt -112.96 134.77 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -151.22 174.65 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 132.73 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 p -70.57 175.25 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 19' ' ' ASP . 30.6 m -46.84 -43.17 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.491 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 11.7 m-20 -71.14 -36.06 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.66 37.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 22' ' ' PRO . 4.9 mp -85.73 135.0 38.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.715 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.75 98.5 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -134.42 151.62 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.58 156.43 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.19 130.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 4.4 t0 -97.34 117.58 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.91 -43.3 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -65.97 -51.1 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -78.65 -25.28 44.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' ASP . 32.7 mtp180 57.28 45.73 19.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -131.0 166.33 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -122.93 134.21 54.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.249 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -148.64 149.07 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -83.48 -38.02 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.65 120.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD21 ' CE2' ' A' ' 24' ' ' PHE . 14.1 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.92 133.71 56.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.04 -41.12 2.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.8 m95 -71.43 128.69 36.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.47 167.79 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 3.5 ttt -125.67 128.26 47.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 83.1 mtt-85 -153.57 174.11 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -134.7 129.82 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 81.3 p -68.75 163.25 24.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.4 p -38.75 -44.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.481 ' N ' HG13 ' A' ' 18' ' ' VAL . 21.9 m-20 -61.27 -38.32 86.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.7 42.49 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.676 HG23 ' HD2' ' A' ' 22' ' ' PRO . 57.7 mt -104.27 138.7 19.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.9 Cg_endo -69.82 96.31 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 7.4 p90 -123.87 152.7 42.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 49.3 m-85 -111.2 159.0 18.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.09 130.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t0 -97.28 127.28 43.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -86.47 -40.82 14.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -71.88 -47.38 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 18.5 mmt-85 -81.81 -26.23 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 60.62 45.75 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 t -130.2 160.93 32.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 p -128.3 132.16 48.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -146.35 129.97 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.64 140.33 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 17.8 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -55.31 128.83 35.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.37 -42.31 2.09 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 77.8 m95 -75.3 116.0 15.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.694 0.283 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.76 171.34 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.1 ttt -123.17 129.19 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 16.2 mtp85 -151.72 162.7 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.27 131.24 50.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLY . 70.7 p -68.9 165.56 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 m -42.11 -35.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.47 -34.96 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 103.5 44.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 22' ' ' PRO . 53.2 mt -102.25 138.65 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.75 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 12.5 p90 -143.77 150.88 39.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 49.0 m-85 -113.86 154.99 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.06 130.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.7 t0 -97.24 114.15 25.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -75.58 -50.26 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 31' ' ' THR . 1.4 mmm180 -78.7 -22.22 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 13.4 mtp-105 55.92 44.32 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 29' ' ' ARG . 10.0 t -130.81 161.82 30.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 p -124.87 129.84 51.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -142.31 154.57 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -88.0 -37.13 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.13 117.88 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.195 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 12.8 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.65 0.738 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 24' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.72 -175.07 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 126.36 30.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.32 -42.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 73.3 m95 -69.53 138.42 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -120.68 168.75 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.5 ttt -123.42 127.08 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 49.3 mtt85 -149.16 169.93 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -137.48 135.91 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.3 p -74.72 169.07 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -39.64 -45.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 18' ' ' VAL . 16.5 m-20 -65.06 -36.78 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.42 42.32 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.22 131.12 35.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.31 0.52 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.1 p90 -120.32 151.04 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 8' ' ' LEU . 47.9 m-85 -107.46 150.75 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.14 129.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -97.82 125.81 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -77.81 -52.68 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -62.22 -48.85 78.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -75.71 -29.93 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 61.0 42.8 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -129.71 167.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.5 p -130.68 124.97 32.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 t -136.08 141.1 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -73.62 -37.76 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.95 141.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.602 0.715 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 165.79 29.77 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.763 2.309 . . . . 0.0 112.31 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -62.69 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 -41.06 2.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.1 m95 -72.08 131.83 43.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -114.68 170.36 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttt -129.55 128.56 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.4 mtp180 -150.98 175.96 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -137.13 132.61 34.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -68.67 175.77 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -41.72 -66.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.77 -34.86 9.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 22' ' ' PRO . 42.4 mt -95.25 138.63 21.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.8 Cg_endo -69.85 107.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 9.3 p90 -135.33 152.2 51.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -110.88 157.31 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.4 t -129.09 130.39 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.479 ' OD1' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -97.85 125.73 42.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -83.34 -45.3 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -73.82 -57.14 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -68.11 -24.77 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 58.14 46.13 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -129.31 165.6 21.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.1 p -132.84 133.05 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -150.41 157.61 43.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -91.43 -37.03 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.3 mp -57.27 128.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 24' ' ' PHE . 12.6 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.53 0.681 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.71 168.92 20.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.48 144.71 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.86 -43.62 2.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 86.2 m95 -71.78 116.98 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -118.33 165.3 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 ttt -111.43 133.28 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 38.4 mtt180 -156.8 169.22 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -137.24 138.8 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 11.0 p -74.76 169.41 17.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 19' ' ' ASP . 10.1 p -40.91 -43.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' N ' HG13 ' A' ' 18' ' ' VAL . 9.1 t70 -68.16 -32.7 73.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 104.1 43.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.413 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.406 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.3 mm -91.26 132.03 35.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.7 Cg_endo -69.69 92.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.421 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.7 p90 -127.22 162.88 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 8' ' ' LEU . 77.9 m-85 -122.01 149.02 44.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 32' ' ' THR . 83.9 t -120.3 131.43 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.37 123.45 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -78.63 -40.72 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.42 -49.77 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -77.49 -27.37 51.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 4.4 mmm180 62.36 44.07 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -130.32 167.1 19.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 25' ' ' VAL . 17.6 p -131.46 125.96 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 146.47 42.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -75.34 -36.66 60.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.53 139.96 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.805 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 24' ' ' PHE . 19.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.81 167.17 25.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.66 131.54 51.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.74 -42.09 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 61.8 m95 -71.59 127.27 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.71 166.2 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -123.17 135.37 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 26.7 mtp85 -154.66 170.2 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -136.0 129.24 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 p -69.57 170.86 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 19' ' ' ASP . 27.1 m -41.76 -45.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 18' ' ' VAL . 1.5 m-20 -63.1 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.88 36.98 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt -92.56 130.87 35.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.618 0.723 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 21.6 p90 -118.78 158.08 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 63.9 m-85 -115.61 157.11 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.77 131.36 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.98 127.16 42.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.8 -40.91 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.13 -47.58 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -84.06 -21.74 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 59.18 43.95 16.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -131.68 166.72 20.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 p -131.0 141.66 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -153.11 153.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -84.5 -34.35 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.45 138.22 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 13.5 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.825 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.638 0.733 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.0 Cg_endo -69.81 163.06 39.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -60.84 133.82 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -38.85 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.5 m95 -71.67 129.88 39.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -122.43 162.69 21.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 6.9 ttp -127.14 146.44 50.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 95.9 mtt180 -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -133.83 128.09 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.0 p -71.74 170.49 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 m -45.6 -31.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -30.16 43.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 102.5 39.17 2.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.3 mt -98.36 129.67 29.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 89.37 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.413 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 18.9 p90 -112.12 147.0 37.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 41.0 m-85 -103.45 153.44 20.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -129.26 130.64 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.93 121.04 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -81.37 -49.26 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -63.79 -54.87 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 31' ' ' THR . 12.2 mmm-85 -75.48 -16.56 60.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 55.61 38.71 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' ARG . 9.3 t -128.01 162.43 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 p -123.67 135.77 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -148.47 135.46 20.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.38 123.51 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 7.5 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.74 170.95 15.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 125.22 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.73 -40.96 2.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 31.9 m95 -68.13 127.93 34.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.08 173.41 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttt -135.21 119.63 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -144.09 176.05 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.79 137.35 53.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 p -68.63 165.58 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -44.4 -46.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' HG13 ' A' ' 18' ' ' VAL . 18.3 m-20 -65.11 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.65 32.2 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.2 129.1 34.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 120.53 7.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.5 p90 -144.58 164.91 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 32' ' ' THR . 3.3 m-85 -119.26 141.33 49.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.62 131.13 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -97.21 120.55 37.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -78.21 -57.01 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -52.55 -48.13 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB3' HG22 ' A' ' 31' ' ' THR . 7.3 mmt180 -83.08 -21.42 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 29.0 mtm105 61.78 33.61 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HB3' ' A' ' 29' ' ' ARG . 7.7 t -134.22 167.55 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.942 HG23 ' O ' ' A' ' 24' ' ' PHE . 16.9 m -131.72 145.36 51.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -140.58 149.17 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -77.15 -37.87 53.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.5 mm -59.52 149.68 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 24' ' ' PHE . 13.1 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.613 0.72 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.2 Cg_endo -69.78 178.1 4.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.278 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -69.53 133.1 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.63 -38.84 2.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.5 m95 -73.85 124.83 26.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.96 169.54 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -124.83 134.34 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 75.8 mtt180 -153.91 167.05 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -136.11 138.95 42.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 p -73.56 168.93 18.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 19' ' ' ASP . 31.4 m -46.68 -45.57 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 18' ' ' VAL . 59.3 m-20 -65.82 -23.59 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 47.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.09 122.89 52.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 99.22 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.2 p90 -128.89 162.46 27.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE1' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -117.97 158.94 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.22 130.73 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.85 126.26 43.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -79.78 -41.25 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -72.31 -49.03 37.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 mmt-85 -76.43 -27.21 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 58.18 45.2 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.5 t -133.62 166.52 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -127.42 138.8 53.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -153.97 140.2 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -70.41 -37.93 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.2 mm -56.93 141.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' OD2' ' CZ ' ' A' ' 24' ' ' PHE . 9.4 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.7 Cg_endo -69.83 177.34 5.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -73.43 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.65 -40.05 2.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.6 m95 -70.82 133.69 46.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.759 0.314 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -121.89 164.26 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.0 ttp -126.35 140.54 52.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -157.55 174.49 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.05 132.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.5 t -72.28 164.7 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.21 -22.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.49 -35.74 34.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.15 35.01 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mm -100.54 127.0 33.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.367 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -121.82 144.69 48.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 23.7 m-85 -101.4 145.45 28.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -118.37 130.66 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -97.77 134.48 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -97.39 -41.7 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -50.61 66.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 30' ' ' ARG . 15.9 mmt-85 -95.61 -16.58 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CD ' ' C ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 64.42 40.6 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t -121.39 160.04 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 p -119.57 124.4 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.096 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -135.17 130.65 35.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -62.79 -37.7 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.47 135.62 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.59 0.71 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.73 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -74.79 128.1 34.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.8 -38.8 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 47.3 m95 -71.3 133.44 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -124.29 170.45 10.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttp -131.04 136.19 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 36.3 mtp85 -151.87 175.17 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -138.32 133.13 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -68.97 170.65 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.88 -25.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 -30.59 27.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.76 30.78 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.547 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.29 122.66 67.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 112.46 3.07 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' HD2' HG21 ' A' ' 32' ' ' THR . 2.2 p90 -138.03 146.76 43.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.996 ' O ' HG23 ' A' ' 32' ' ' THR . 28.4 m-85 -103.58 146.91 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.79 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -97.85 126.44 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -79.83 -48.92 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.84 -47.14 79.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HB3' HG22 ' A' ' 31' ' ' THR . 42.5 mmt-85 -78.78 -20.23 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 57.77 36.27 26.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.56 HG22 ' HB3' ' A' ' 29' ' ' ARG . 14.7 t -135.48 165.8 24.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.996 HG23 ' O ' ' A' ' 24' ' ' PHE . 38.6 m -135.84 144.52 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -149.84 139.34 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.6 -34.41 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.3 mt -55.25 135.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.78 173.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 144.0 57.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.97 -38.58 2.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m95 -70.12 128.77 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt -129.67 123.34 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.3 mtt-85 -138.22 175.42 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -130.55 136.33 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.8 p -68.69 161.93 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -42.05 -33.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -73.2 -38.13 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 111.84 42.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 22' ' ' PRO . 36.2 mm -101.87 138.38 19.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.75 105.08 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.2 p90 -137.61 158.3 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -116.72 173.27 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -143.52 130.54 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.568 ' OD2' ' CZ2' ' A' ' 12' ' ' TRP . 6.1 t0 -97.82 113.33 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -71.37 -50.24 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.0 -49.27 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 5.2 mmm180 -79.83 -24.25 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ASP . 75.8 mtt180 60.58 42.56 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -134.48 166.05 23.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -122.89 128.1 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -140.0 144.46 36.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -86.51 -32.46 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mm -67.75 118.4 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 24' ' ' PHE . 18.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.575 0.703 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.71 174.8 8.94 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -71.48 125.16 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 -40.49 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -71.92 139.19 48.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -126.13 157.89 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 ttt -110.35 139.47 45.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 32.7 mtp180 -157.25 167.83 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -130.76 131.69 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 82.7 p -68.63 165.71 18.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.14 -32.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -74.38 -37.24 63.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.93 41.12 1.46 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.501 HG23 ' HD2' ' A' ' 22' ' ' PRO . 58.3 mt -99.68 134.6 20.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.74 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 8.9 p90 -120.33 149.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 38.5 m-85 -108.99 143.86 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 46.1 t -119.86 130.74 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 5.8 t0 -92.61 106.03 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -65.6 -42.42 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -69.26 -65.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 8.4 mmm180 -63.97 -17.33 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 56.2 44.23 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -132.93 163.71 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -123.61 133.01 54.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -150.61 137.82 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -69.65 -33.55 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -57.39 143.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.598 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 10.9 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -57.41 127.47 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -127.66 150.86 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.97 -151.74 8.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -104.49 102.68 12.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -51.52 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 64.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.23 154.79 51.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.76 179.08 3.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.613 2.209 . . . . 0.0 112.37 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.04 128.02 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.24 -39.87 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 75.2 m95 -75.79 128.41 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 159.25 25.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttt -111.69 129.05 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -155.4 170.49 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.81 137.21 43.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.86 166.32 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.8 p -40.39 -44.35 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' N ' HG13 ' A' ' 18' ' ' VAL . 3.2 t0 -68.31 -35.59 78.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 109.7 44.1 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.67 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.5 mm -95.6 138.62 21.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.8 Cg_endo -69.69 100.65 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -135.86 152.36 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -113.43 152.12 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -124.05 131.21 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.5 t0 -97.68 124.51 42.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -80.27 -40.76 26.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -72.54 -50.51 25.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 3.7 mmm180 -76.2 -24.97 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 58.87 45.5 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.56 171.02 14.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 135.98 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -143.79 151.3 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.58 -37.95 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.33 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.204 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 6.2 t0 -78.74 141.7 60.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.6 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.341 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 mtm180 -57.16 -59.29 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.4 m -64.79 -64.69 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -88.11 152.05 22.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -119.15 177.47 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 -178.97 40.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -76.35 177.12 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 p -131.52 147.11 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.07 81.39 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -98.88 155.83 36.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.82 166.81 26.43 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.779 2.319 . . . . 0.0 112.264 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -61.89 128.0 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.57 -42.38 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.6 m95 -73.85 132.8 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.702 0.287 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -127.91 155.49 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttt -101.09 130.83 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -152.64 170.45 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -141.68 136.26 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.7 p -68.73 171.02 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 19' ' ' ASP . 18.6 m -44.14 -43.21 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.495 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 2.1 m-20 -66.4 -38.64 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.83 36.35 1.71 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 22' ' ' PRO . 5.2 mp -90.12 138.68 27.31 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.694 0.759 . . . . 0.0 111.1 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.77 108.65 2.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -144.38 153.48 41.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 48.2 m-85 -112.84 156.94 22.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.36 131.84 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.02 111.42 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.71 -43.8 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -64.41 -62.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 1.2 mmp_? -68.84 -20.51 64.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 62.81 42.72 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 t -139.38 170.43 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -128.16 138.08 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.503 HG21 ' HH2' ' A' ' 12' ' ' TRP . 7.4 t -136.83 142.2 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.08 -37.97 69.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.29 141.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 39' ' ' THR . 2.2 t70 -78.88 143.55 62.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.969 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 53.1 Cg_endo -69.75 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.288 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -43.47 -43.99 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.771 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.0 t -75.99 -33.33 59.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -122.4 159.01 28.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -143.84 174.14 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.37 -76.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -124.98 146.97 49.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -123.56 116.7 23.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.93 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 HD23 ' HG2' ' A' ' 37' ' ' PRO . 22.0 mt -86.87 154.9 55.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.73 -179.15 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.15 132.73 40.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.58 -39.66 2.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -69.76 138.69 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -131.33 148.97 52.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ttt -101.33 136.57 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -158.68 167.98 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -138.55 135.36 34.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.9 p -68.67 164.35 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.1 p -40.18 -42.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 18' ' ' VAL . 10.4 m-20 -69.42 -34.49 74.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 105.09 55.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 22' ' ' PRO . 29.5 mm -105.19 138.31 19.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.5 Cg_endo -69.78 99.36 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -139.81 152.77 46.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' HD21 ' A' ' 8' ' ' LEU . 52.0 m-85 -116.95 154.37 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -120.55 130.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.7 m-20 -95.83 104.03 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -66.78 -34.57 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -76.49 -59.63 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -70.75 -21.66 62.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ASP . 44.6 mtt180 60.36 45.17 11.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -136.23 166.04 24.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -127.85 140.29 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -152.54 157.46 41.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -88.31 -35.23 17.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG23 ' HA3' ' A' ' 40' ' ' GLY . 14.6 mt -55.52 120.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.203 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.7 t70 -65.15 140.13 97.85 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HG2' HD23 ' A' ' 8' ' ' LEU . 53.8 Cg_endo -69.82 -25.07 28.69 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -88.41 -37.87 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p -154.34 104.5 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.541 ' HA3' HG23 ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -62.66 124.39 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -95.63 142.45 27.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.53 -84.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -112.59 160.3 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -83.44 -43.08 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.45 61.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.6 mt -91.06 153.8 44.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 164.13 35.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.318 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -54.44 139.82 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.51 -41.35 3.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.9 m95 -72.62 127.73 33.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.93 157.05 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttt -111.24 132.18 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.439 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 50.4 mtt-85 -158.45 169.93 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -132.27 138.89 48.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.55 165.62 18.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -42.2 -36.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.56 -36.54 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 110.79 42.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 22' ' ' PRO . 27.5 mm -95.39 136.88 22.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.76 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.599 2.199 . . . . 0.0 112.377 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.1 p90 -137.22 159.25 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' OD1' ' A' ' 36' ' ' ASP . 40.6 m-85 -121.95 152.42 39.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 32' ' ' THR . 57.5 t -123.84 129.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 4.3 t0 -97.78 124.81 42.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -81.67 -40.97 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -73.33 -50.81 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.1 mmt-85 -77.13 -23.53 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 60.13 41.3 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 29' ' ' ARG . 6.7 t -130.35 158.08 40.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.46 HG22 HG22 ' A' ' 25' ' ' VAL . 18.5 p -126.28 133.29 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -151.47 151.12 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.95 -36.54 41.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.7 mt -69.13 126.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.586 ' OD1' ' CE2' ' A' ' 24' ' ' PHE . 4.9 t70 -81.63 141.06 48.02 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HG3' ' CD2' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 -36.65 10.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 14.2 mtp-105 -37.67 -46.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.1 p -84.07 -44.48 14.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.437 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -85.0 -57.47 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -153.55 134.55 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.98 -54.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -130.89 153.25 49.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -77.29 -55.18 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.42 41.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 24' ' ' PHE . 11.4 mt -84.93 155.32 61.22 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.82 -179.51 2.99 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -71.23 138.95 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.2 -41.34 3.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.4 m95 -69.44 121.7 17.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 15' ' ' ARG . 20.7 tt0 -114.3 148.28 37.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 ttt -103.12 125.64 49.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NE ' ' OE2' ' A' ' 13' ' ' GLU . 31.9 mtt180 -154.53 176.15 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.93 136.52 44.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -68.79 164.63 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -45.99 -26.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.53 -36.01 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.53 2.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 22' ' ' PRO . 81.8 mt -102.25 138.49 19.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.2 Cg_endo -69.74 102.04 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.6 p90 -134.11 150.75 51.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.011 ' O ' HG23 ' A' ' 32' ' ' THR . 47.6 m-85 -109.17 139.92 43.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 t -116.77 129.95 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.02 131.45 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.47 -47.84 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.45 -52.99 49.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -76.05 -25.49 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 62.32 44.55 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 t -140.22 167.11 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 24' ' ' PHE . 14.7 m -143.62 145.8 32.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -135.44 138.11 42.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.15 -37.94 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.83 131.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.173 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' O ' HG22 ' A' ' 39' ' ' THR . 14.9 t70 -57.71 138.33 82.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.76 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -45.06 -65.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 36' ' ' ASP . 11.0 t -43.56 -33.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.499 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 N-CA-C 112.419 -0.272 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -67.04 -43.72 82.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -66.94 125.59 26.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.3 56.64 0.98 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -75.99 -57.16 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -68.57 -47.88 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . 158.72 45.05 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.4 mt -99.26 156.16 35.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.68 176.77 6.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -74.37 129.25 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.29 -38.96 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -70.98 131.98 44.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.296 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 14' ' ' MET . 18.4 tt0 -118.03 151.97 36.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.46 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 2.9 ttt -113.0 132.03 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 30.1 mtt-85 -156.04 169.04 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -132.95 137.86 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.9 p -72.27 175.19 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.43 -62.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.03 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 95.12 58.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.511 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 22' ' ' PRO . 26.9 mm -102.67 138.28 19.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.85 99.79 0.78 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.0 p90 -136.2 162.6 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -118.93 162.38 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.1 t -134.26 130.2 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.66 123.34 41.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.19 -42.47 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.38 -50.62 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.4 mmt-85 -78.92 -18.97 52.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 54.18 36.4 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 29' ' ' ARG . 12.9 t -127.98 165.95 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -127.46 128.9 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -130.08 131.35 45.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -58.77 -36.65 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -58.98 147.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -87.6 138.45 31.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 53.6 Cg_endo -69.74 -48.67 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 4.6 mmt85 -36.43 -66.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -74.5 -30.11 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -125.08 147.95 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.932 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -99.61 104.95 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 46.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -47.95 -48.57 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -90.68 -40.62 11.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.45 60.77 1.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 14' ' ' MET . 13.8 mt -150.69 152.95 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.68 171.08 15.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.346 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.77 138.98 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.04 -41.28 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.419 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 37' ' ' PRO . 76.4 m95 -73.96 124.77 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.91 158.71 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.406 ' HB2' HD11 ' A' ' 8' ' ' LEU . 5.0 ttt -112.96 134.77 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -151.22 174.65 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 132.73 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 p -70.57 175.25 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 19' ' ' ASP . 30.6 m -46.84 -43.17 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.491 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 11.7 m-20 -71.14 -36.06 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.66 37.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 22' ' ' PRO . 4.9 mp -85.73 135.0 38.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.715 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.75 98.5 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -134.42 151.62 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD2' ' HD3' ' A' ' 37' ' ' PRO . 60.7 m-85 -112.58 156.43 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.19 130.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 4.4 t0 -97.34 117.58 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.91 -43.3 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -65.97 -51.1 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -78.65 -25.28 44.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' ASP . 32.7 mtp180 57.28 45.73 19.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -131.0 166.33 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -122.93 134.21 54.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.249 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -148.64 149.07 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -83.48 -38.02 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.65 120.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.1 t70 -56.5 141.81 71.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -51.5 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.49 104.29 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -88.56 -53.87 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 56.5 41.66 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.9 55.15 4.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 p -46.94 -35.24 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -104.22 172.55 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.7 40.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 14.1 mt -78.93 152.92 77.54 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.92 133.71 56.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.04 -41.12 2.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.8 m95 -71.43 128.69 36.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.47 167.79 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 3.5 ttt -125.67 128.26 47.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 83.1 mtt-85 -153.57 174.11 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -134.7 129.82 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 81.3 p -68.75 163.25 24.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.4 p -38.75 -44.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.481 ' N ' HG13 ' A' ' 18' ' ' VAL . 21.9 m-20 -61.27 -38.32 86.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.7 42.49 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.676 HG23 ' HD2' ' A' ' 22' ' ' PRO . 57.7 mt -104.27 138.7 19.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.9 Cg_endo -69.82 96.31 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 7.4 p90 -123.87 152.7 42.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 49.3 m-85 -111.2 159.0 18.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.09 130.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t0 -97.28 127.28 43.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -86.47 -40.82 14.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -71.88 -47.38 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 18.5 mmt-85 -81.81 -26.23 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 60.62 45.75 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 t -130.2 160.93 32.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 p -128.3 132.16 48.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -146.35 129.97 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.64 140.33 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 17.8 t0 -82.21 135.79 47.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.549 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 2.9 mmt85 -34.31 -61.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.3 p -81.88 -46.33 14.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 m -98.77 120.71 39.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.922 0.392 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -105.72 103.89 13.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.08 143.33 9.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -156.24 142.61 18.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -77.48 -38.23 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.09 87.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.56 155.12 50.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -55.31 128.83 35.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.37 -42.31 2.09 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 77.8 m95 -75.3 116.0 15.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.694 0.283 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.76 171.34 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.1 ttt -123.17 129.19 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 16.2 mtp85 -151.72 162.7 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.27 131.24 50.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLY . 70.7 p -68.9 165.56 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 m -42.11 -35.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.47 -34.96 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 103.5 44.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 22' ' ' PRO . 53.2 mt -102.25 138.65 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.75 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 12.5 p90 -143.77 150.88 39.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 49.0 m-85 -113.86 154.99 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.06 130.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.7 t0 -97.24 114.15 25.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -75.58 -50.26 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 31' ' ' THR . 1.4 mmm180 -78.7 -22.22 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 13.4 mtp-105 55.92 44.32 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 29' ' ' ARG . 10.0 t -130.81 161.82 30.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 p -124.87 129.84 51.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -142.31 154.57 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -88.0 -37.13 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 40' ' ' GLY . 49.2 mm -62.13 117.88 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' GLY . 12.8 t70 -65.62 139.15 96.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.65 0.738 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.97 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.771 2.314 . . . . 0.0 112.261 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -45.65 -48.26 14.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.466 HG22 ' OD2' ' A' ' 36' ' ' ASP . 7.7 t -95.27 -21.16 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.466 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -60.64 146.15 46.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -58.69 165.17 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 102.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -50.04 -50.19 48.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.77 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -69.67 -45.74 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.7 62.81 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 24' ' ' PHE . 9.4 mt -81.32 159.6 67.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.72 -175.07 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 126.36 30.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.32 -42.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 73.3 m95 -69.53 138.42 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -120.68 168.75 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.5 ttt -123.42 127.08 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 49.3 mtt85 -149.16 169.93 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -137.48 135.91 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.3 p -74.72 169.07 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -39.64 -45.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 18' ' ' VAL . 16.5 m-20 -65.06 -36.78 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.42 42.32 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.22 131.12 35.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.31 0.52 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.1 p90 -120.32 151.04 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 8' ' ' LEU . 47.9 m-85 -107.46 150.75 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.14 129.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -97.82 125.81 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -77.81 -52.68 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -62.22 -48.85 78.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -75.71 -29.93 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 61.0 42.8 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -129.71 167.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.5 p -130.68 124.97 32.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 t -136.08 141.1 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -73.62 -37.76 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.95 141.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 2.9 t70 -85.72 143.49 38.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.6 Cg_endo -69.84 -50.79 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 43.2 mtp85 -44.42 -63.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 40' ' ' GLY . 8.9 t -61.06 -44.06 97.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 39' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -88.77 169.79 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -126.42 149.96 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 -59.75 1.56 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -88.16 137.37 32.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m 58.43 42.95 20.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.86 48.42 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.73 155.5 69.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 165.79 29.77 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.763 2.309 . . . . 0.0 112.31 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -62.69 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 -41.06 2.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.1 m95 -72.08 131.83 43.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -114.68 170.36 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttt -129.55 128.56 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.4 mtp180 -150.98 175.96 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -137.13 132.61 34.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -68.67 175.77 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -41.72 -66.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.77 -34.86 9.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 22' ' ' PRO . 42.4 mt -95.25 138.63 21.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.8 Cg_endo -69.85 107.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 9.3 p90 -135.33 152.2 51.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -110.88 157.31 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.4 t -129.09 130.39 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.479 ' OD1' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -97.85 125.73 42.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -83.34 -45.3 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -73.82 -57.14 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -68.11 -24.77 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 58.14 46.13 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -129.31 165.6 21.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.1 p -132.84 133.05 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -150.41 157.61 43.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -91.43 -37.03 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.3 mp -57.27 128.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.94 129.79 93.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -44.22 2.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -46.23 -60.21 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 t -157.99 107.18 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 m -127.95 124.3 36.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -92.18 145.08 24.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 159.57 33.67 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 p -100.19 155.08 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -61.22 -60.28 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.9 45.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.529 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 24' ' ' PHE . 12.6 mt -80.93 152.74 72.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.53 0.681 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.71 168.92 20.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.48 144.71 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.86 -43.62 2.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 86.2 m95 -71.78 116.98 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -118.33 165.3 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 ttt -111.43 133.28 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 38.4 mtt180 -156.8 169.22 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -137.24 138.8 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 11.0 p -74.76 169.41 17.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 19' ' ' ASP . 10.1 p -40.91 -43.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' N ' HG13 ' A' ' 18' ' ' VAL . 9.1 t70 -68.16 -32.7 73.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 104.1 43.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.413 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.406 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.3 mm -91.26 132.03 35.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.7 Cg_endo -69.69 92.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.421 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.7 p90 -127.22 162.88 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 8' ' ' LEU . 77.9 m-85 -122.01 149.02 44.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 32' ' ' THR . 83.9 t -120.3 131.43 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.37 123.45 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -78.63 -40.72 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.42 -49.77 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -77.49 -27.37 51.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 4.4 mmm180 62.36 44.07 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -130.32 167.1 19.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 25' ' ' VAL . 17.6 p -131.46 125.96 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 146.47 42.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -75.34 -36.66 60.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.53 139.96 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 6.4 t70 -80.77 141.7 51.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.8 Cg_endo -69.66 -48.89 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 82.0 mtm180 -46.03 -44.62 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.2 m -89.01 -58.05 2.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -145.58 170.58 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -101.42 129.35 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.79 -148.65 19.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -164.88 156.65 15.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -61.55 157.67 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.6 62.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 24' ' ' PHE . 19.7 mt -74.16 149.76 87.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.81 167.17 25.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.66 131.54 51.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.74 -42.09 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 61.8 m95 -71.59 127.27 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.71 166.2 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -123.17 135.37 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 26.7 mtp85 -154.66 170.2 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -136.0 129.24 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 p -69.57 170.86 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 19' ' ' ASP . 27.1 m -41.76 -45.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 18' ' ' VAL . 1.5 m-20 -63.1 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.88 36.98 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt -92.56 130.87 35.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.618 0.723 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 21.6 p90 -118.78 158.08 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 63.9 m-85 -115.61 157.11 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.77 131.36 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.98 127.16 42.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.8 -40.91 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.13 -47.58 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -84.06 -21.74 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 59.18 43.95 16.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -131.68 166.72 20.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 p -131.0 141.66 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -153.11 153.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -84.5 -34.35 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.45 138.22 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 13.5 t70 -76.22 136.7 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -29.66 23.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 15.3 mtp-105 -73.39 -48.47 33.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -53.32 9.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -150.67 170.48 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -144.33 173.68 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -54.45 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 61.49 42.11 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 m -107.55 162.28 14.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.77 51.18 2.92 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 37' ' ' PRO . 59.6 mt -113.93 149.04 41.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.638 0.733 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.0 Cg_endo -69.81 163.06 39.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -60.84 133.82 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -38.85 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.5 m95 -71.67 129.88 39.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -122.43 162.69 21.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 6.9 ttp -127.14 146.44 50.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 95.9 mtt180 -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -133.83 128.09 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.0 p -71.74 170.49 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 m -45.6 -31.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -30.16 43.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 102.5 39.17 2.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.3 mt -98.36 129.67 29.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 89.37 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.413 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 18.9 p90 -112.12 147.0 37.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 41.0 m-85 -103.45 153.44 20.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -129.26 130.64 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.93 121.04 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -81.37 -49.26 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -63.79 -54.87 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 31' ' ' THR . 12.2 mmm-85 -75.48 -16.56 60.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 55.61 38.71 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' ARG . 9.3 t -128.01 162.43 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 p -123.67 135.77 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -148.47 135.46 20.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.38 123.51 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 7.5 t70 -57.35 142.01 76.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.48 ' HG3' HD22 ' A' ' 8' ' ' LEU . 53.3 Cg_endo -69.75 -47.28 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -54.97 -51.5 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -74.72 -56.57 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -140.93 118.1 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t 58.65 41.2 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.99 90.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -99.41 118.84 36.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -53.03 -51.69 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.51 61.16 0.39 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.57 156.14 70.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.74 170.95 15.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 125.22 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.73 -40.96 2.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 31.9 m95 -68.13 127.93 34.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.08 173.41 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttt -135.21 119.63 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -144.09 176.05 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.79 137.35 53.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 p -68.63 165.58 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -44.4 -46.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' HG13 ' A' ' 18' ' ' VAL . 18.3 m-20 -65.11 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.65 32.2 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.2 129.1 34.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 120.53 7.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.5 p90 -144.58 164.91 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 32' ' ' THR . 3.3 m-85 -119.26 141.33 49.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.62 131.13 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -97.21 120.55 37.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -78.21 -57.01 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -52.55 -48.13 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB3' HG22 ' A' ' 31' ' ' THR . 7.3 mmt180 -83.08 -21.42 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 29.0 mtm105 61.78 33.61 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HB3' ' A' ' 29' ' ' ARG . 7.7 t -134.22 167.55 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.942 HG23 ' O ' ' A' ' 24' ' ' PHE . 16.9 m -131.72 145.36 51.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -140.58 149.17 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -77.15 -37.87 53.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 40' ' ' GLY . 47.5 mm -59.52 149.68 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -90.99 138.33 26.12 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -30.36 22.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -76.18 -34.27 59.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.5 p -150.02 102.22 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -71.2 150.16 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.6 p -45.04 -46.94 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.99 -178.56 34.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -62.48 125.05 22.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.761 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -61.24 -45.93 92.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.29 -41.06 1.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 24' ' ' PHE . 13.1 mt -63.16 152.98 83.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.2 Cg_endo -69.78 178.1 4.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.278 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -69.53 133.1 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.63 -38.84 2.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.5 m95 -73.85 124.83 26.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.96 169.54 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -124.83 134.34 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 75.8 mtt180 -153.91 167.05 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -136.11 138.95 42.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 p -73.56 168.93 18.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 19' ' ' ASP . 31.4 m -46.68 -45.57 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 18' ' ' VAL . 59.3 m-20 -65.82 -23.59 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 47.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.09 122.89 52.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 99.22 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.2 p90 -128.89 162.46 27.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE1' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -117.97 158.94 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.22 130.73 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.85 126.26 43.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -79.78 -41.25 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -72.31 -49.03 37.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 mmt-85 -76.43 -27.21 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 58.18 45.2 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.5 t -133.62 166.52 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -127.42 138.8 53.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -153.97 140.2 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -70.41 -37.93 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.2 mm -56.93 141.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 9.4 t70 -83.76 140.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.2 Cg_endo -69.77 -42.02 3.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 65.5 mtm180 -57.41 -63.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 m -74.45 -58.88 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -103.29 114.7 29.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -131.22 172.82 11.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.79 -55.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m 63.46 42.2 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -95.06 169.07 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.43 70.26 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -84.62 152.66 60.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.7 Cg_endo -69.83 177.34 5.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -73.43 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.65 -40.05 2.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.6 m95 -70.82 133.69 46.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.759 0.314 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -121.89 164.26 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.0 ttp -126.35 140.54 52.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -157.55 174.49 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.05 132.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.5 t -72.28 164.7 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.21 -22.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.49 -35.74 34.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.15 35.01 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mm -100.54 127.0 33.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.367 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -121.82 144.69 48.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 23.7 m-85 -101.4 145.45 28.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -118.37 130.66 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -97.77 134.48 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -97.39 -41.7 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -50.61 66.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 30' ' ' ARG . 15.9 mmt-85 -95.61 -16.58 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CD ' ' C ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 64.42 40.6 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t -121.39 160.04 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 p -119.57 124.4 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.096 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -135.17 130.65 35.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -62.79 -37.7 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.47 135.62 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.624 ' OD2' HG22 ' A' ' 39' ' ' THR . 0.2 OUTLIER -73.63 140.86 78.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.59 0.71 . . . . 0.0 110.8 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.76 -49.32 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PRO . 40.2 mtp180 -34.07 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.624 HG22 ' OD2' ' A' ' 36' ' ' ASP . 9.0 t -68.65 -31.27 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -135.23 149.12 49.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -44.21 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.48 88.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -80.84 160.82 24.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -125.74 170.39 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.88 81.41 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.562 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.02 152.51 38.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.73 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -74.79 128.1 34.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.8 -38.8 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 47.3 m95 -71.3 133.44 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -124.29 170.45 10.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttp -131.04 136.19 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 36.3 mtp85 -151.87 175.17 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -138.32 133.13 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -68.97 170.65 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.88 -25.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 -30.59 27.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.76 30.78 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.547 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.29 122.66 67.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 112.46 3.07 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' HD2' HG21 ' A' ' 32' ' ' THR . 2.2 p90 -138.03 146.76 43.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.996 ' O ' HG23 ' A' ' 32' ' ' THR . 28.4 m-85 -103.58 146.91 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.79 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -97.85 126.44 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -79.83 -48.92 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.84 -47.14 79.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HB3' HG22 ' A' ' 31' ' ' THR . 42.5 mmt-85 -78.78 -20.23 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 57.77 36.27 26.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.56 HG22 ' HB3' ' A' ' 29' ' ' ARG . 14.7 t -135.48 165.8 24.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.996 HG23 ' O ' ' A' ' 24' ' ' PHE . 38.6 m -135.84 144.52 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -149.84 139.34 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.6 -34.41 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG2' ' C ' ' A' ' 40' ' ' GLY . 18.3 mt -55.25 135.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.92 136.77 69.77 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -85.71 -35.65 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p -151.73 103.26 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -59.12 150.75 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -103.32 145.18 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 55.54 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -120.63 135.11 55.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 0.0 110.794 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -61.4 -59.27 5.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.99 41.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.2 mt -72.79 156.15 90.14 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.78 173.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 144.0 57.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.97 -38.58 2.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m95 -70.12 128.77 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt -129.67 123.34 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.3 mtt-85 -138.22 175.42 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -130.55 136.33 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.8 p -68.69 161.93 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -42.05 -33.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -73.2 -38.13 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 111.84 42.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 22' ' ' PRO . 36.2 mm -101.87 138.38 19.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.75 105.08 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.2 p90 -137.61 158.3 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -116.72 173.27 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -143.52 130.54 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.568 ' OD2' ' CZ2' ' A' ' 12' ' ' TRP . 6.1 t0 -97.82 113.33 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -71.37 -50.24 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.0 -49.27 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 5.2 mmm180 -79.83 -24.25 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ASP . 75.8 mtt180 60.58 42.56 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -134.48 166.05 23.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -122.89 128.1 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -140.0 144.46 36.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -86.51 -32.46 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mm -67.75 118.4 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.706 ' HB3' HG22 ' A' ' 39' ' ' THR . 12.6 t0 -67.51 116.94 42.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -36.42 10.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 39' ' ' THR . 9.0 ptm180 -52.62 -40.03 62.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 36' ' ' ASP . 15.1 t -96.31 -36.63 10.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -66.5 -43.95 83.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -61.59 117.43 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.25 96.51 0.71 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -68.4 -30.92 69.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -58.23 169.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.11 58.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.445 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 24' ' ' PHE . 18.4 mt -72.05 153.85 92.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.703 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.71 174.8 8.94 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -71.48 125.16 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 -40.49 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -71.92 139.19 48.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -126.13 157.89 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 ttt -110.35 139.47 45.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 32.7 mtp180 -157.25 167.83 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -130.76 131.69 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 82.7 p -68.63 165.71 18.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.14 -32.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -74.38 -37.24 63.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.93 41.12 1.46 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.501 HG23 ' HD2' ' A' ' 22' ' ' PRO . 58.3 mt -99.68 134.6 20.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.74 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 8.9 p90 -120.33 149.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 38.5 m-85 -108.99 143.86 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 46.1 t -119.86 130.74 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 5.8 t0 -92.61 106.03 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -65.6 -42.42 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -69.26 -65.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 8.4 mmm180 -63.97 -17.33 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 56.2 44.23 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -132.93 163.71 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -123.61 133.01 54.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -150.61 137.82 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -69.65 -33.55 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -57.39 143.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.598 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 10.9 t0 -93.2 123.82 59.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HG3' ' CD2' ' A' ' 12' ' ' TRP . 53.1 Cg_endo -69.79 -40.42 5.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.8 ' HG3' HG22 ' A' ' 39' ' ' THR . 15.1 ptt180 -65.72 -46.85 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.8 HG22 ' HG3' ' A' ' 38' ' ' ARG . 2.9 t -157.65 105.89 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.76 179.08 3.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.613 2.209 . . . . 0.0 112.37 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.04 128.02 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.24 -39.87 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 75.2 m95 -75.79 128.41 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 159.25 25.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttt -111.69 129.05 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -155.4 170.49 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.81 137.21 43.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.86 166.32 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.8 p -40.39 -44.35 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' N ' HG13 ' A' ' 18' ' ' VAL . 3.2 t0 -68.31 -35.59 78.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 109.7 44.1 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.67 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.5 mm -95.6 138.62 21.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.8 Cg_endo -69.69 100.65 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -135.86 152.36 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -113.43 152.12 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -124.05 131.21 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.5 t0 -97.68 124.51 42.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -80.27 -40.76 26.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -72.54 -50.51 25.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 3.7 mmm180 -76.2 -24.97 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 58.87 45.5 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.56 171.02 14.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 135.98 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -143.79 151.3 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.58 -37.95 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.33 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.204 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.82 166.81 26.43 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.779 2.319 . . . . 0.0 112.264 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -61.89 128.0 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.57 -42.38 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.6 m95 -73.85 132.8 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.702 0.287 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -127.91 155.49 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttt -101.09 130.83 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -152.64 170.45 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -141.68 136.26 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.7 p -68.73 171.02 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 19' ' ' ASP . 18.6 m -44.14 -43.21 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.495 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 2.1 m-20 -66.4 -38.64 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.83 36.35 1.71 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 22' ' ' PRO . 5.2 mp -90.12 138.68 27.31 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.694 0.759 . . . . 0.0 111.1 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.77 108.65 2.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -144.38 153.48 41.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 48.2 m-85 -112.84 156.94 22.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.36 131.84 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.02 111.42 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.71 -43.8 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -64.41 -62.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 1.2 mmp_? -68.84 -20.51 64.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 62.81 42.72 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 t -139.38 170.43 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -128.16 138.08 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.503 HG21 ' HH2' ' A' ' 12' ' ' TRP . 7.4 t -136.83 142.2 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.08 -37.97 69.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.29 141.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 2.2 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.412 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.0 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.73 -179.15 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.15 132.73 40.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.58 -39.66 2.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -69.76 138.69 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -131.33 148.97 52.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ttt -101.33 136.57 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -158.68 167.98 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -138.55 135.36 34.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.9 p -68.67 164.35 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.1 p -40.18 -42.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 18' ' ' VAL . 10.4 m-20 -69.42 -34.49 74.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 105.09 55.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 22' ' ' PRO . 29.5 mm -105.19 138.31 19.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.5 Cg_endo -69.78 99.36 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -139.81 152.77 46.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' HD21 ' A' ' 8' ' ' LEU . 52.0 m-85 -116.95 154.37 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -120.55 130.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.7 m-20 -95.83 104.03 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -66.78 -34.57 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.49 -59.63 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -70.75 -21.66 62.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ASP . 44.6 mtt180 60.36 45.17 11.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -136.23 166.04 24.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -127.85 140.29 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -152.54 157.46 41.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -88.31 -35.23 17.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.52 120.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.203 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 164.13 35.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.318 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -54.44 139.82 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.51 -41.35 3.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.9 m95 -72.62 127.73 33.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.93 157.05 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttt -111.24 132.18 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.439 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 50.4 mtt-85 -158.45 169.93 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -132.27 138.89 48.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.55 165.62 18.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -42.2 -36.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.56 -36.54 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 110.79 42.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 22' ' ' PRO . 27.5 mm -95.39 136.88 22.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.76 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.599 2.199 . . . . 0.0 112.377 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.1 p90 -137.22 159.25 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' OD1' ' A' ' 36' ' ' ASP . 40.6 m-85 -121.95 152.42 39.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 32' ' ' THR . 57.5 t -123.84 129.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 4.3 t0 -97.78 124.81 42.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -81.67 -40.97 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -73.33 -50.81 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.1 mmt-85 -77.13 -23.53 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 60.13 41.3 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 29' ' ' ARG . 6.7 t -130.35 158.08 40.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.46 HG22 HG22 ' A' ' 25' ' ' VAL . 18.5 p -126.28 133.29 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -151.47 151.12 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.95 -36.54 41.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.7 mt -69.13 126.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.586 ' OD1' ' CE2' ' A' ' 24' ' ' PHE . 4.9 t70 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 24' ' ' PHE . 11.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.82 -179.51 2.99 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -71.23 138.95 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.2 -41.34 3.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.4 m95 -69.44 121.7 17.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 15' ' ' ARG . 20.7 tt0 -114.3 148.28 37.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 ttt -103.12 125.64 49.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NE ' ' OE2' ' A' ' 13' ' ' GLU . 31.9 mtt180 -154.53 176.15 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.93 136.52 44.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -68.79 164.63 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -45.99 -26.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.53 -36.01 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.53 2.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 22' ' ' PRO . 81.8 mt -102.25 138.49 19.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.2 Cg_endo -69.74 102.04 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.6 p90 -134.11 150.75 51.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.011 ' O ' HG23 ' A' ' 32' ' ' THR . 47.6 m-85 -109.17 139.92 43.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 t -116.77 129.95 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.02 131.45 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.47 -47.84 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.45 -52.99 49.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -76.05 -25.49 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 62.32 44.55 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 t -140.22 167.11 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 24' ' ' PHE . 14.7 m -143.62 145.8 32.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -135.44 138.11 42.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.15 -37.94 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.83 131.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.173 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.4 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.555 0.693 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.68 176.77 6.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -74.37 129.25 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.29 -38.96 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -70.98 131.98 44.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.296 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 14' ' ' MET . 18.4 tt0 -118.03 151.97 36.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.46 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 2.9 ttt -113.0 132.03 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.554 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 30.1 mtt-85 -156.04 169.04 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -132.95 137.86 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.9 p -72.27 175.19 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.43 -62.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.03 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 95.12 58.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.511 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 22' ' ' PRO . 26.9 mm -102.67 138.28 19.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.85 99.79 0.78 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.0 p90 -136.2 162.6 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -118.93 162.38 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.1 t -134.26 130.2 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.66 123.34 41.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.19 -42.47 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.38 -50.62 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.4 mmt-85 -78.92 -18.97 52.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 54.18 36.4 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 29' ' ' ARG . 12.9 t -127.98 165.95 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -127.46 128.9 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -130.08 131.35 45.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -58.77 -36.65 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -58.98 147.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 14' ' ' MET . 13.8 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.68 171.08 15.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.346 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.77 138.98 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.04 -41.28 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.419 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.4 m95 -73.96 124.77 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.91 158.71 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.406 ' HB2' HD11 ' A' ' 8' ' ' LEU . 5.0 ttt -112.96 134.77 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -151.22 174.65 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 132.73 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 p -70.57 175.25 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 19' ' ' ASP . 30.6 m -46.84 -43.17 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.491 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 11.7 m-20 -71.14 -36.06 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.66 37.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 22' ' ' PRO . 4.9 mp -85.73 135.0 38.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.715 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.75 98.5 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -134.42 151.62 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -112.58 156.43 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.19 130.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 4.4 t0 -97.34 117.58 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.91 -43.3 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -65.97 -51.1 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -78.65 -25.28 44.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' ASP . 32.7 mtp180 57.28 45.73 19.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -131.0 166.33 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -122.93 134.21 54.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.249 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -148.64 149.07 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -83.48 -38.02 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.65 120.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD21 ' CE2' ' A' ' 24' ' ' PHE . 14.1 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.92 133.71 56.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.04 -41.12 2.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.8 m95 -71.43 128.69 36.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.47 167.79 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 3.5 ttt -125.67 128.26 47.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 83.1 mtt-85 -153.57 174.11 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -134.7 129.82 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 81.3 p -68.75 163.25 24.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.4 p -38.75 -44.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.481 ' N ' HG13 ' A' ' 18' ' ' VAL . 21.9 m-20 -61.27 -38.32 86.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.7 42.49 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.676 HG23 ' HD2' ' A' ' 22' ' ' PRO . 57.7 mt -104.27 138.7 19.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.9 Cg_endo -69.82 96.31 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 7.4 p90 -123.87 152.7 42.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 49.3 m-85 -111.2 159.0 18.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.09 130.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t0 -97.28 127.28 43.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -86.47 -40.82 14.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -71.88 -47.38 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 18.5 mmt-85 -81.81 -26.23 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 60.62 45.75 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 t -130.2 160.93 32.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 p -128.3 132.16 48.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -146.35 129.97 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.64 140.33 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 17.8 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -55.31 128.83 35.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.37 -42.31 2.09 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 77.8 m95 -75.3 116.0 15.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.694 0.283 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.76 171.34 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.1 ttt -123.17 129.19 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 16.2 mtp85 -151.72 162.7 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.27 131.24 50.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLY . 70.7 p -68.9 165.56 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 m -42.11 -35.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.47 -34.96 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 103.5 44.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 22' ' ' PRO . 53.2 mt -102.25 138.65 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.75 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 12.5 p90 -143.77 150.88 39.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 49.0 m-85 -113.86 154.99 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.06 130.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.7 t0 -97.24 114.15 25.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -75.58 -50.26 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 31' ' ' THR . 1.4 mmm180 -78.7 -22.22 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 13.4 mtp-105 55.92 44.32 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 29' ' ' ARG . 10.0 t -130.81 161.82 30.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 p -124.87 129.84 51.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -142.31 154.57 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -88.0 -37.13 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.13 117.88 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.195 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 12.8 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.65 0.738 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 24' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.72 -175.07 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 126.36 30.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.32 -42.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 73.3 m95 -69.53 138.42 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -120.68 168.75 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.5 ttt -123.42 127.08 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 49.3 mtt85 -149.16 169.93 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -137.48 135.91 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.3 p -74.72 169.07 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -39.64 -45.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 18' ' ' VAL . 16.5 m-20 -65.06 -36.78 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.42 42.32 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.22 131.12 35.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.31 0.52 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.1 p90 -120.32 151.04 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 8' ' ' LEU . 47.9 m-85 -107.46 150.75 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.14 129.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -97.82 125.81 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -77.81 -52.68 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -62.22 -48.85 78.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -75.71 -29.93 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 61.0 42.8 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -129.71 167.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.5 p -130.68 124.97 32.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 t -136.08 141.1 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -73.62 -37.76 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.95 141.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.602 0.715 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 165.79 29.77 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.763 2.309 . . . . 0.0 112.31 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -62.69 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 -41.06 2.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.1 m95 -72.08 131.83 43.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -114.68 170.36 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttt -129.55 128.56 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.4 mtp180 -150.98 175.96 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -137.13 132.61 34.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -68.67 175.77 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -41.72 -66.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.77 -34.86 9.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 22' ' ' PRO . 42.4 mt -95.25 138.63 21.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.8 Cg_endo -69.85 107.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 9.3 p90 -135.33 152.2 51.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -110.88 157.31 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.4 t -129.09 130.39 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.479 ' OD1' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -97.85 125.73 42.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -83.34 -45.3 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -73.82 -57.14 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -68.11 -24.77 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 58.14 46.13 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -129.31 165.6 21.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.1 p -132.84 133.05 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -150.41 157.61 43.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -91.43 -37.03 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.3 mp -57.27 128.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 24' ' ' PHE . 12.6 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.53 0.681 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.71 168.92 20.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.48 144.71 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.86 -43.62 2.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 86.2 m95 -71.78 116.98 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -118.33 165.3 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 ttt -111.43 133.28 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 38.4 mtt180 -156.8 169.22 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -137.24 138.8 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 11.0 p -74.76 169.41 17.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 19' ' ' ASP . 10.1 p -40.91 -43.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.48 ' N ' HG13 ' A' ' 18' ' ' VAL . 9.1 t70 -68.16 -32.7 73.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 104.1 43.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.413 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.406 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.3 mm -91.26 132.03 35.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.7 Cg_endo -69.69 92.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.421 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.7 p90 -127.22 162.88 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 8' ' ' LEU . 77.9 m-85 -122.01 149.02 44.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 32' ' ' THR . 83.9 t -120.3 131.43 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.37 123.45 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -78.63 -40.72 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.42 -49.77 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -77.49 -27.37 51.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 4.4 mmm180 62.36 44.07 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -130.32 167.1 19.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 25' ' ' VAL . 17.6 p -131.46 125.96 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 146.47 42.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -75.34 -36.66 60.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.53 139.96 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.805 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 24' ' ' PHE . 19.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.81 167.17 25.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.66 131.54 51.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.74 -42.09 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 61.8 m95 -71.59 127.27 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.71 166.2 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -123.17 135.37 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 26.7 mtp85 -154.66 170.2 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -136.0 129.24 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 p -69.57 170.86 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 19' ' ' ASP . 27.1 m -41.76 -45.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 18' ' ' VAL . 1.5 m-20 -63.1 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.88 36.98 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt -92.56 130.87 35.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.618 0.723 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 21.6 p90 -118.78 158.08 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 63.9 m-85 -115.61 157.11 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.77 131.36 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.98 127.16 42.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.8 -40.91 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.13 -47.58 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -84.06 -21.74 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 59.18 43.95 16.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -131.68 166.72 20.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 p -131.0 141.66 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -153.11 153.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -84.5 -34.35 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.45 138.22 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 13.5 t70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.825 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.638 0.733 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.0 Cg_endo -69.81 163.06 39.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -60.84 133.82 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -38.85 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.5 m95 -71.67 129.88 39.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -122.43 162.69 21.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 6.9 ttp -127.14 146.44 50.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 95.9 mtt180 -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -133.83 128.09 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.0 p -71.74 170.49 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 m -45.6 -31.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -30.16 43.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 102.5 39.17 2.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.3 mt -98.36 129.67 29.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 89.37 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.413 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 18.9 p90 -112.12 147.0 37.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 41.0 m-85 -103.45 153.44 20.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -129.26 130.64 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.93 121.04 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -81.37 -49.26 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -63.79 -54.87 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 31' ' ' THR . 12.2 mmm-85 -75.48 -16.56 60.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 55.61 38.71 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' ARG . 9.3 t -128.01 162.43 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 p -123.67 135.77 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -148.47 135.46 20.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.38 123.51 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 7.5 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.74 170.95 15.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 125.22 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.73 -40.96 2.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 31.9 m95 -68.13 127.93 34.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.08 173.41 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttt -135.21 119.63 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -144.09 176.05 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.79 137.35 53.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 p -68.63 165.58 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -44.4 -46.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' HG13 ' A' ' 18' ' ' VAL . 18.3 m-20 -65.11 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.65 32.2 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.2 129.1 34.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 120.53 7.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.5 p90 -144.58 164.91 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 32' ' ' THR . 3.3 m-85 -119.26 141.33 49.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.62 131.13 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -97.21 120.55 37.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -78.21 -57.01 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -52.55 -48.13 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB3' HG22 ' A' ' 31' ' ' THR . 7.3 mmt180 -83.08 -21.42 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 29.0 mtm105 61.78 33.61 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HB3' ' A' ' 29' ' ' ARG . 7.7 t -134.22 167.55 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.942 HG23 ' O ' ' A' ' 24' ' ' PHE . 16.9 m -131.72 145.36 51.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -140.58 149.17 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -77.15 -37.87 53.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.5 mm -59.52 149.68 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 24' ' ' PHE . 13.1 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.613 0.72 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.2 Cg_endo -69.78 178.1 4.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.278 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -69.53 133.1 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.63 -38.84 2.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.5 m95 -73.85 124.83 26.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.96 169.54 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -124.83 134.34 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 75.8 mtt180 -153.91 167.05 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -136.11 138.95 42.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 p -73.56 168.93 18.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 19' ' ' ASP . 31.4 m -46.68 -45.57 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 18' ' ' VAL . 59.3 m-20 -65.82 -23.59 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 47.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.09 122.89 52.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 99.22 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.2 p90 -128.89 162.46 27.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE1' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -117.97 158.94 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.22 130.73 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.85 126.26 43.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -79.78 -41.25 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -72.31 -49.03 37.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 mmt-85 -76.43 -27.21 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 58.18 45.2 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.5 t -133.62 166.52 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -127.42 138.8 53.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -153.97 140.2 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -70.41 -37.93 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.2 mm -56.93 141.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' OD2' ' CZ ' ' A' ' 24' ' ' PHE . 9.4 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.7 Cg_endo -69.83 177.34 5.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -73.43 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.65 -40.05 2.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.6 m95 -70.82 133.69 46.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.759 0.314 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -121.89 164.26 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.0 ttp -126.35 140.54 52.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -157.55 174.49 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.05 132.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.5 t -72.28 164.7 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.21 -22.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.49 -35.74 34.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.15 35.01 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mm -100.54 127.0 33.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.367 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -121.82 144.69 48.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 23.7 m-85 -101.4 145.45 28.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -118.37 130.66 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -97.77 134.48 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -97.39 -41.7 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -50.61 66.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 30' ' ' ARG . 15.9 mmt-85 -95.61 -16.58 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CD ' ' C ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 64.42 40.6 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t -121.39 160.04 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 p -119.57 124.4 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.096 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -135.17 130.65 35.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -62.79 -37.7 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.47 135.62 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.59 0.71 . . . . 0.0 110.8 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.73 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -74.79 128.1 34.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.8 -38.8 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 47.3 m95 -71.3 133.44 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -124.29 170.45 10.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttp -131.04 136.19 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 36.3 mtp85 -151.87 175.17 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -138.32 133.13 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -68.97 170.65 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.88 -25.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 -30.59 27.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.76 30.78 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.547 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.29 122.66 67.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 112.46 3.07 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' HD2' HG21 ' A' ' 32' ' ' THR . 2.2 p90 -138.03 146.76 43.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.996 ' O ' HG23 ' A' ' 32' ' ' THR . 28.4 m-85 -103.58 146.91 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.79 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -97.85 126.44 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -79.83 -48.92 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -64.84 -47.14 79.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HB3' HG22 ' A' ' 31' ' ' THR . 42.5 mmt-85 -78.78 -20.23 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 57.77 36.27 26.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.56 HG22 ' HB3' ' A' ' 29' ' ' ARG . 14.7 t -135.48 165.8 24.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.996 HG23 ' O ' ' A' ' 24' ' ' PHE . 38.6 m -135.84 144.52 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -149.84 139.34 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.6 -34.41 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.3 mt -55.25 135.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.78 173.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 144.0 57.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.97 -38.58 2.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m95 -70.12 128.77 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt -129.67 123.34 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.3 mtt-85 -138.22 175.42 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -130.55 136.33 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.8 p -68.69 161.93 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -42.05 -33.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -73.2 -38.13 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 111.84 42.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 22' ' ' PRO . 36.2 mm -101.87 138.38 19.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.75 105.08 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.2 p90 -137.61 158.3 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -116.72 173.27 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -143.52 130.54 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.568 ' OD2' ' CZ2' ' A' ' 12' ' ' TRP . 6.1 t0 -97.82 113.33 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -71.37 -50.24 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.0 -49.27 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 5.2 mmm180 -79.83 -24.25 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ASP . 75.8 mtt180 60.58 42.56 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -134.48 166.05 23.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -122.89 128.1 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -140.0 144.46 36.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -86.51 -32.46 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mm -67.75 118.4 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 24' ' ' PHE . 18.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.575 0.703 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.71 174.8 8.94 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -71.48 125.16 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 -40.49 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -71.92 139.19 48.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -126.13 157.89 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 ttt -110.35 139.47 45.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 32.7 mtp180 -157.25 167.83 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -130.76 131.69 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 82.7 p -68.63 165.71 18.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.14 -32.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -74.38 -37.24 63.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.93 41.12 1.46 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.501 HG23 ' HD2' ' A' ' 22' ' ' PRO . 58.3 mt -99.68 134.6 20.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.74 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 8.9 p90 -120.33 149.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 38.5 m-85 -108.99 143.86 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 46.1 t -119.86 130.74 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 5.8 t0 -92.61 106.03 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -65.6 -42.42 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -69.26 -65.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 8.4 mmm180 -63.97 -17.33 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 56.2 44.23 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -132.93 163.71 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -123.61 133.01 54.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -150.61 137.82 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -69.65 -33.55 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -57.39 143.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.598 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 10.9 t0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -57.41 127.47 32.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -127.66 150.86 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.97 -151.74 8.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -104.49 102.68 12.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -51.52 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.57 64.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.23 154.79 51.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.3 Cg_endo -69.76 179.08 3.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.613 2.209 . . . . 0.0 112.37 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.04 128.02 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.24 -39.87 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 75.2 m95 -75.79 128.41 35.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 159.25 25.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 ttt -111.69 129.05 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -155.4 170.49 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.81 137.21 43.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.86 166.32 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.8 p -40.39 -44.35 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' N ' HG13 ' A' ' 18' ' ' VAL . 3.2 t0 -68.31 -35.59 78.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 109.7 44.1 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.67 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.5 mm -95.6 138.62 21.79 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.8 Cg_endo -69.69 100.65 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.747 2.298 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -135.86 152.36 50.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -113.43 152.12 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -124.05 131.21 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.5 t0 -97.68 124.51 42.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -80.27 -40.76 26.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -72.54 -50.51 25.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 3.7 mmm180 -76.2 -24.97 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 58.87 45.5 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.56 171.02 14.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 135.98 48.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -143.79 151.3 39.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.58 -37.95 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.33 139.14 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.204 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 6.2 t0 -78.74 141.7 60.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.6 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.341 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 mtm180 -57.16 -59.29 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.4 m -64.79 -64.69 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -88.11 152.05 22.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -119.15 177.47 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 -178.97 40.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.437 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -76.35 177.12 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 p -131.52 147.11 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.853 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.07 81.39 0.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -98.88 155.83 36.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.82 166.81 26.43 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.779 2.319 . . . . 0.0 112.264 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -61.89 128.0 34.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.57 -42.38 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 76.6 m95 -73.85 132.8 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.702 0.287 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -127.91 155.49 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.3 ttt -101.09 130.83 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -152.64 170.45 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -141.68 136.26 30.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.7 p -68.73 171.02 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 19' ' ' ASP . 18.6 m -44.14 -43.21 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.495 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 2.1 m-20 -66.4 -38.64 87.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.83 36.35 1.71 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 22' ' ' PRO . 5.2 mp -90.12 138.68 27.31 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.694 0.759 . . . . 0.0 111.1 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.77 108.65 2.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -144.38 153.48 41.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 48.2 m-85 -112.84 156.94 22.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t -122.36 131.84 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.02 111.42 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.71 -43.8 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -64.41 -62.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 1.2 mmp_? -68.84 -20.51 64.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 62.81 42.72 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 t -139.38 170.43 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 p -128.16 138.08 52.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.503 HG21 ' HH2' ' A' ' 12' ' ' TRP . 7.4 t -136.83 142.2 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.08 -37.97 69.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.29 141.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 39' ' ' THR . 2.2 t70 -78.88 143.55 62.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.969 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' HB3' ' CD2' ' A' ' 12' ' ' TRP . 53.1 Cg_endo -69.75 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.288 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -43.47 -43.99 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.771 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 36' ' ' ASP . 9.0 t -75.99 -33.33 59.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -122.4 159.01 28.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -143.84 174.14 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.37 -76.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -124.98 146.97 49.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -123.56 116.7 23.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.96 72.93 0.44 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 22.0 mt -86.87 154.9 55.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.73 -179.15 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -76.15 132.73 40.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.58 -39.66 2.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -69.76 138.69 52.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -131.33 148.97 52.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 ttt -101.33 136.57 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -158.68 167.98 28.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.777 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -138.55 135.36 34.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.9 p -68.67 164.35 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 19' ' ' ASP . 7.1 p -40.18 -42.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 18' ' ' VAL . 10.4 m-20 -69.42 -34.49 74.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 105.09 55.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 22' ' ' PRO . 29.5 mm -105.19 138.31 19.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.5 Cg_endo -69.78 99.36 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -139.81 152.77 46.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' HD21 ' A' ' 8' ' ' LEU . 52.0 m-85 -116.95 154.37 30.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -120.55 130.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.7 m-20 -95.83 104.03 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -66.78 -34.57 78.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -76.49 -59.63 2.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -70.75 -21.66 62.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ASP . 44.6 mtt180 60.36 45.17 11.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.4 t -136.23 166.04 24.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -127.85 140.29 52.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -152.54 157.46 41.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -88.31 -35.23 17.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG23 ' HA3' ' A' ' 40' ' ' GLY . 14.6 mt -55.52 120.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.203 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.7 t70 -65.15 140.13 97.85 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 8' ' ' LEU . 53.8 Cg_endo -69.82 -25.07 28.69 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -88.41 -37.87 15.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p -154.34 104.5 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.541 ' HA3' HG23 ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -62.66 124.39 20.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -95.63 142.45 27.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.53 -84.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -112.59 160.3 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -83.44 -43.08 16.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.45 61.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.6 mt -91.06 153.8 44.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 164.13 35.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.318 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -54.44 139.82 36.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.51 -41.35 3.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.9 m95 -72.62 127.73 33.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.93 157.05 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttt -111.24 132.18 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.439 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 50.4 mtt-85 -158.45 169.93 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -132.27 138.89 48.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLY . 19.2 p -68.55 165.62 18.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.207 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -42.2 -36.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -73.56 -36.54 65.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 110.79 42.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 22' ' ' PRO . 27.5 mm -95.39 136.88 22.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.76 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.599 2.199 . . . . 0.0 112.377 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.1 p90 -137.22 159.25 42.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' OD1' ' A' ' 36' ' ' ASP . 40.6 m-85 -121.95 152.42 39.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 32' ' ' THR . 57.5 t -123.84 129.94 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 4.3 t0 -97.78 124.81 42.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -81.67 -40.97 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -73.33 -50.81 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.1 mmt-85 -77.13 -23.53 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 60.13 41.3 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 29' ' ' ARG . 6.7 t -130.35 158.08 40.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.46 HG22 HG22 ' A' ' 25' ' ' VAL . 18.5 p -126.28 133.29 51.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -151.47 151.12 31.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.95 -36.54 41.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.7 mt -69.13 126.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.586 ' OD1' ' CE2' ' A' ' 24' ' ' PHE . 4.9 t70 -81.63 141.06 48.02 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HG3' ' CD2' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.75 -36.65 10.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.236 . . . . 0.0 112.417 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 38' ' ' ARG . 14.2 mtp-105 -37.67 -46.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.1 p -84.07 -44.48 14.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.437 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -85.0 -57.47 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -153.55 134.55 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.98 -54.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -130.89 153.25 49.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -77.29 -55.18 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.42 41.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 24' ' ' PHE . 11.4 mt -84.93 155.32 61.22 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.82 -179.51 2.99 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -71.23 138.95 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.2 -41.34 3.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 64.4 m95 -69.44 121.7 17.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' OE2' ' NE ' ' A' ' 15' ' ' ARG . 20.7 tt0 -114.3 148.28 37.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.0 ttt -103.12 125.64 49.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' NE ' ' OE2' ' A' ' 13' ' ' GLU . 31.9 mtt180 -154.53 176.15 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -133.93 136.52 44.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -68.79 164.63 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -45.99 -26.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.53 -36.01 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 36.53 2.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 22' ' ' PRO . 81.8 mt -102.25 138.49 19.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.2 Cg_endo -69.74 102.04 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.6 p90 -134.11 150.75 51.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.011 ' O ' HG23 ' A' ' 32' ' ' THR . 47.6 m-85 -109.17 139.92 43.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 t -116.77 129.95 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.02 131.45 43.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -88.47 -47.84 8.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.45 -52.99 49.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 mmm-85 -76.05 -25.49 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 62.32 44.55 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 t -140.22 167.11 22.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 24' ' ' PHE . 14.7 m -143.62 145.8 32.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.2 t -135.44 138.11 42.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.15 -37.94 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.83 131.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.173 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' O ' HG22 ' A' ' 39' ' ' THR . 14.9 t70 -57.71 138.33 82.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.76 -51.31 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -45.06 -65.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 36' ' ' ASP . 11.0 t -43.56 -33.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.499 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 N-CA-C 112.419 -0.272 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -67.04 -43.72 82.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -66.94 125.59 26.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.3 56.64 0.98 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -75.99 -57.16 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -68.57 -47.88 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . 158.72 45.05 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.4 mt -99.26 156.16 35.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.555 0.693 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.68 176.77 6.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -74.37 129.25 37.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.29 -38.96 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -70.98 131.98 44.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.296 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 14' ' ' MET . 18.4 tt0 -118.03 151.97 36.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.46 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 2.9 ttt -113.0 132.03 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 30.1 mtt-85 -156.04 169.04 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -132.95 137.86 46.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.9 p -72.27 175.19 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.43 -62.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.03 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 95.12 58.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.511 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 22' ' ' PRO . 26.9 mm -102.67 138.28 19.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.85 99.79 0.78 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.0 p90 -136.2 162.6 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.606 ' CE2' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -118.93 162.38 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.1 t -134.26 130.2 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -97.66 123.34 41.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.19 -42.47 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.38 -50.62 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HB3' HG22 ' A' ' 31' ' ' THR . 18.4 mmt-85 -78.92 -18.97 52.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 54.18 36.4 24.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 29' ' ' ARG . 12.9 t -127.98 165.95 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -127.46 128.9 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -130.08 131.35 45.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -58.77 -36.65 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -58.98 147.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -87.6 138.45 31.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 53.6 Cg_endo -69.74 -48.67 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 4.6 mmt85 -36.43 -66.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -74.5 -30.11 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -125.08 147.95 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.932 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -99.61 104.95 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 46.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t -47.95 -48.57 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -90.68 -40.62 11.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.45 60.77 1.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 14' ' ' MET . 13.8 mt -150.69 152.95 33.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.68 171.08 15.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.346 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.77 138.98 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.04 -41.28 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.419 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 37' ' ' PRO . 76.4 m95 -73.96 124.77 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.91 158.71 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.406 ' HB2' HD11 ' A' ' 8' ' ' LEU . 5.0 ttt -112.96 134.77 54.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -151.22 174.65 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 132.73 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 p -70.57 175.25 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 19' ' ' ASP . 30.6 m -46.84 -43.17 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.491 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 11.7 m-20 -71.14 -36.06 71.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.66 37.72 1.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 22' ' ' PRO . 4.9 mp -85.73 135.0 38.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.715 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.0 Cg_endo -69.75 98.5 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -134.42 151.62 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD2' ' HD3' ' A' ' 37' ' ' PRO . 60.7 m-85 -112.58 156.43 22.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.19 130.41 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' ARG . 4.4 t0 -97.34 117.58 31.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -70.91 -43.3 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -65.97 -51.1 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -78.65 -25.28 44.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' ASP . 32.7 mtp180 57.28 45.73 19.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -131.0 166.33 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.7 p -122.93 134.21 54.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.249 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -148.64 149.07 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -83.48 -38.02 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.65 120.71 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.1 t70 -56.5 141.81 71.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -51.5 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.49 104.29 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -88.56 -53.87 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m 56.5 41.66 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.9 55.15 4.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 p -46.94 -35.24 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -104.22 172.55 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.7 40.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD2' ' HG2' ' A' ' 37' ' ' PRO . 14.1 mt -78.93 152.92 77.54 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.563 0.697 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.92 133.71 56.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.04 -41.12 2.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 68.8 m95 -71.43 128.69 36.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.47 167.79 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 3.5 ttt -125.67 128.26 47.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 83.1 mtt-85 -153.57 174.11 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -134.7 129.82 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 81.3 p -68.75 163.25 24.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.4 p -38.75 -44.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.481 ' N ' HG13 ' A' ' 18' ' ' VAL . 21.9 m-20 -61.27 -38.32 86.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.7 42.49 1.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.676 HG23 ' HD2' ' A' ' 22' ' ' PRO . 57.7 mt -104.27 138.7 19.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.658 0.742 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.9 Cg_endo -69.82 96.31 0.59 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 7.4 p90 -123.87 152.7 42.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 49.3 m-85 -111.2 159.0 18.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -137.09 130.69 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t0 -97.28 127.28 43.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -86.47 -40.82 14.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -71.88 -47.38 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 18.5 mmt-85 -81.81 -26.23 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 60.62 45.75 10.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 t -130.2 160.93 32.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 p -128.3 132.16 48.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -146.35 129.97 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -58.3 -35.78 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.64 140.33 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' PHE . 17.8 t0 -82.21 135.79 47.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.549 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.74 -48.26 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 2.9 mmt85 -34.31 -61.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.3 p -81.88 -46.33 14.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 m -98.77 120.71 39.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.922 0.392 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -105.72 103.89 13.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.08 143.33 9.97 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -156.24 142.61 18.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -77.48 -38.23 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.09 87.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.56 155.12 50.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.79 162.71 41.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -55.31 128.83 35.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.37 -42.31 2.09 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 77.8 m95 -75.3 116.0 15.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.694 0.283 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.76 171.34 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.1 ttt -123.17 129.19 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 16.2 mtp85 -151.72 162.7 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -127.27 131.24 50.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLY . 70.7 p -68.9 165.56 19.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.8 m -42.11 -35.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.47 -34.96 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 103.5 44.17 1.73 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 22' ' ' PRO . 53.2 mt -102.25 138.65 19.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.602 0.715 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.3 Cg_endo -69.75 110.33 2.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 12.5 p90 -143.77 150.88 39.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 49.0 m-85 -113.86 154.99 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.06 130.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 6.7 t0 -97.24 114.15 25.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -75.58 -50.26 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' HG22 ' A' ' 31' ' ' THR . 1.4 mmm180 -78.7 -22.22 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 13.4 mtp-105 55.92 44.32 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 29' ' ' ARG . 10.0 t -130.81 161.82 30.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.9 p -124.87 129.84 51.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -142.31 154.57 44.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -88.0 -37.13 16.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 40' ' ' GLY . 49.2 mm -62.13 117.88 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.195 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' GLY . 12.8 t70 -65.62 139.15 96.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.65 0.738 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.97 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.771 2.314 . . . . 0.0 112.261 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -45.65 -48.26 14.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.466 HG22 ' OD2' ' A' ' 36' ' ' ASP . 7.7 t -95.27 -21.16 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.466 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -60.64 146.15 46.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -58.69 165.17 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 102.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -50.04 -50.19 48.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.77 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -69.67 -45.74 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.7 62.81 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 24' ' ' PHE . 9.4 mt -81.32 159.6 67.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.72 -175.07 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 126.36 30.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.32 -42.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 73.3 m95 -69.53 138.42 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -120.68 168.75 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.5 ttt -123.42 127.08 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 49.3 mtt85 -149.16 169.93 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -137.48 135.91 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.3 p -74.72 169.07 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -39.64 -45.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 18' ' ' VAL . 16.5 m-20 -65.06 -36.78 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 107.42 42.32 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.22 131.12 35.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.31 0.52 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.1 p90 -120.32 151.04 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 8' ' ' LEU . 47.9 m-85 -107.46 150.75 26.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.14 129.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -97.82 125.81 42.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -77.81 -52.68 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -62.22 -48.85 78.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -75.71 -29.93 59.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 61.0 42.8 12.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -129.71 167.02 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.5 p -130.68 124.97 32.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 t -136.08 141.1 44.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -73.62 -37.76 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.95 141.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 2.9 t70 -85.72 143.49 38.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.6 Cg_endo -69.84 -50.79 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 43.2 mtp85 -44.42 -63.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 40' ' ' GLY . 8.9 t -61.06 -44.06 97.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.474 ' N ' HG23 ' A' ' 39' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -88.77 169.79 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -126.42 149.96 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.96 -59.75 1.56 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -88.16 137.37 32.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m 58.43 42.95 20.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.86 48.42 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.73 155.5 69.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.74 165.79 29.77 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.763 2.309 . . . . 0.0 112.31 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -62.69 126.37 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 -41.06 2.23 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.1 m95 -72.08 131.83 43.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.731 0.301 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -114.68 170.36 8.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.1 ttt -129.55 128.56 43.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.4 mtp180 -150.98 175.96 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -137.13 132.61 34.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -68.67 175.77 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -41.72 -66.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.77 -34.86 9.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.83 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 22' ' ' PRO . 42.4 mt -95.25 138.63 21.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 21' ' ' ILE . 52.8 Cg_endo -69.85 107.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 9.3 p90 -135.33 152.2 51.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -110.88 157.31 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.4 t -129.09 130.39 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.479 ' OD1' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -97.85 125.73 42.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -83.34 -45.3 13.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -73.82 -57.14 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -68.11 -24.77 65.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 58.14 46.13 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -129.31 165.6 21.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.1 p -132.84 133.05 42.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -150.41 157.61 43.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -91.43 -37.03 13.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.3 mp -57.27 128.61 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.94 129.79 93.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -44.22 2.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -46.23 -60.21 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 39' ' ' THR . 2.2 t -157.99 107.18 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 m -127.95 124.3 36.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -92.18 145.08 24.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.804 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.76 159.57 33.67 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 p -100.19 155.08 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -61.22 -60.28 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.9 45.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.529 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 24' ' ' PHE . 12.6 mt -80.93 152.74 72.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.53 0.681 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.8 Cg_endo -69.71 168.92 20.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.299 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.48 144.71 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.86 -43.62 2.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 86.2 m95 -71.78 116.98 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -118.33 165.3 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 ttt -111.43 133.28 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 38.4 mtt180 -156.8 169.22 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -137.24 138.8 40.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 11.0 p -74.76 169.41 17.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 19' ' ' ASP . 10.1 p -40.91 -43.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.48 ' N ' HG13 ' A' ' 18' ' ' VAL . 9.1 t70 -68.16 -32.7 73.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 104.1 43.63 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.413 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.406 HG23 ' HD2' ' A' ' 22' ' ' PRO . 28.3 mm -91.26 132.03 35.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 21' ' ' ILE . 54.7 Cg_endo -69.69 92.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.421 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 5.7 p90 -127.22 162.88 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 8' ' ' LEU . 77.9 m-85 -122.01 149.02 44.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 32' ' ' THR . 83.9 t -120.3 131.43 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.37 123.45 40.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -78.63 -40.72 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -72.42 -49.77 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -77.49 -27.37 51.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 4.4 mmm180 62.36 44.07 7.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -130.32 167.1 19.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 25' ' ' VAL . 17.6 p -131.46 125.96 33.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 146.47 42.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -75.34 -36.66 60.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.0 mt -64.53 139.96 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 6.4 t70 -80.77 141.7 51.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.8 Cg_endo -69.66 -48.89 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 0.0 112.406 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 82.0 mtm180 -46.03 -44.62 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.2 m -89.01 -58.05 2.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -145.58 170.58 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -101.42 129.35 47.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.79 -148.65 19.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.471 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -164.88 156.65 15.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -61.55 157.67 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.6 62.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD21 ' CE1' ' A' ' 24' ' ' PHE . 19.7 mt -74.16 149.76 87.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.81 167.17 25.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.66 131.54 51.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.74 -42.09 2.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.503 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 61.8 m95 -71.59 127.27 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -115.71 166.2 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -123.17 135.37 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 26.7 mtp85 -154.66 170.2 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -136.0 129.24 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 p -69.57 170.86 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 19' ' ' ASP . 27.1 m -41.76 -45.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 18' ' ' VAL . 1.5 m-20 -63.1 -36.93 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.88 36.98 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt -92.56 130.87 35.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.618 0.723 . . . . 0.0 111.168 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.594 2.196 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 21.6 p90 -118.78 158.08 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 63.9 m-85 -115.61 157.11 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.77 131.36 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -96.98 127.16 42.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -88.8 -40.91 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -70.13 -47.58 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mmt-85 -84.06 -21.74 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 59.18 43.95 16.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -131.68 166.72 20.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 p -131.0 141.66 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -153.11 153.88 33.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -84.5 -34.35 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.45 138.22 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 13.5 t70 -76.22 136.7 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.747 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -29.66 23.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 38' ' ' ARG . 15.3 mtp-105 -73.39 -48.47 33.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -53.32 9.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -150.67 170.48 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -144.33 173.68 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -54.45 32.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 61.49 42.11 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 m -107.55 162.28 14.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.77 51.18 2.92 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 37' ' ' PRO . 59.6 mt -113.93 149.04 41.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.638 0.733 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.0 Cg_endo -69.81 163.06 39.72 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -60.84 133.82 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -38.85 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.588 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.5 m95 -71.67 129.88 39.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -122.43 162.69 21.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 6.9 ttp -127.14 146.44 50.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 95.9 mtt180 -158.92 176.1 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -133.83 128.09 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' GLY . 18.0 p -71.74 170.49 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.2 m -45.6 -31.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -30.16 43.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 102.5 39.17 2.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.3 mt -98.36 129.67 29.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 89.37 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.413 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 18.9 p90 -112.12 147.0 37.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' ASP . 41.0 m-85 -103.45 153.44 20.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -129.26 130.64 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.93 121.04 38.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -81.37 -49.26 10.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -63.79 -54.87 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 31' ' ' THR . 12.2 mmm-85 -75.48 -16.56 60.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 55.61 38.71 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 29' ' ' ARG . 9.3 t -128.01 162.43 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.9 p -123.67 135.77 54.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -148.47 135.46 20.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 mt -53.38 123.51 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 7.5 t70 -57.35 142.01 76.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.48 ' HG3' HD22 ' A' ' 8' ' ' LEU . 53.3 Cg_endo -69.75 -47.28 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -54.97 -51.5 65.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -74.72 -56.57 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.536 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -140.93 118.1 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t 58.65 41.2 22.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.99 90.22 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -99.41 118.84 36.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -53.03 -51.69 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.51 61.16 0.39 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.57 156.14 70.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.74 170.95 15.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -69.53 125.22 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.73 -40.96 2.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 31.9 m95 -68.13 127.93 34.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -111.08 173.41 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 ttt -135.21 119.63 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -144.09 176.05 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.778 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.79 137.35 53.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.4 p -68.63 165.58 19.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 19' ' ' ASP . 8.1 p -44.4 -46.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' N ' HG13 ' A' ' 18' ' ' VAL . 18.3 m-20 -65.11 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.65 32.2 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.9 mm -96.2 129.1 34.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 120.53 7.31 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' HD2' HG21 ' A' ' 32' ' ' THR . 1.5 p90 -144.58 164.91 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 32' ' ' THR . 3.3 m-85 -119.26 141.33 49.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.62 131.13 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -97.21 120.55 37.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -78.21 -57.01 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -52.55 -48.13 66.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB3' HG22 ' A' ' 31' ' ' THR . 7.3 mmt180 -83.08 -21.42 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 29.0 mtm105 61.78 33.61 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 ' HB3' ' A' ' 29' ' ' ARG . 7.7 t -134.22 167.55 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.942 HG23 ' O ' ' A' ' 24' ' ' PHE . 16.9 m -131.72 145.36 51.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.9 t -140.58 149.17 42.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -77.15 -37.87 53.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 40' ' ' GLY . 47.5 mm -59.52 149.68 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -90.99 138.33 26.12 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.607 0.718 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -30.36 22.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -76.18 -34.27 59.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.5 p -150.02 102.22 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 t -71.2 150.16 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.812 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.6 p -45.04 -46.94 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.99 -178.56 34.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -62.48 125.05 22.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.761 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 p -61.24 -45.93 92.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.29 -41.06 1.52 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 24' ' ' PHE . 13.1 mt -63.16 152.98 83.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.904 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.2 Cg_endo -69.78 178.1 4.92 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.293 . . . . 0.0 112.278 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -69.53 133.1 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.63 -38.84 2.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.58 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.5 m95 -73.85 124.83 26.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.722 0.296 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.96 169.54 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -124.83 134.34 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 75.8 mtt180 -153.91 167.05 31.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -136.11 138.95 42.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 p -73.56 168.93 18.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 19' ' ' ASP . 31.4 m -46.68 -45.57 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 18' ' ' VAL . 59.3 m-20 -65.82 -23.59 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 47.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.5 mm -98.09 122.89 52.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 99.22 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.2 p90 -128.89 162.46 27.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CE1' HD21 ' A' ' 8' ' ' LEU . 58.7 m-85 -117.97 158.94 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.22 130.73 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -97.85 126.26 43.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -79.78 -41.25 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -72.31 -49.03 37.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 mmt-85 -76.43 -27.21 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 58.18 45.2 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.5 t -133.62 166.52 22.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -127.42 138.8 53.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -153.97 140.2 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -70.41 -37.93 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.2 mm -56.93 141.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 9.4 t70 -83.76 140.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 36' ' ' ASP . 53.2 Cg_endo -69.77 -42.02 3.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 65.5 mtm180 -57.41 -63.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 m -74.45 -58.88 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -103.29 114.7 29.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -131.22 172.82 11.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.79 -55.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m 63.46 42.2 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -95.06 169.07 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.43 70.26 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -84.62 152.66 60.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.7 Cg_endo -69.83 177.34 5.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -73.43 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.65 -40.05 2.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.6 m95 -70.82 133.69 46.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.759 0.314 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -121.89 164.26 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.0 ttp -126.35 140.54 52.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -157.55 174.49 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.05 132.69 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.5 t -72.28 164.7 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.21 -22.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.49 -35.74 34.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.15 35.01 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mm -100.54 127.0 33.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.46 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.367 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -121.82 144.69 48.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 36' ' ' ASP . 23.7 m-85 -101.4 145.45 28.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -118.37 130.66 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -97.77 134.48 40.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -97.39 -41.7 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -50.61 66.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 30' ' ' ARG . 15.9 mmt-85 -95.61 -16.58 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CD ' ' C ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 64.42 40.6 6.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 t -121.39 160.04 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.4 p -119.57 124.4 46.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.096 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -135.17 130.65 35.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -62.79 -37.7 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.47 135.62 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.624 ' OD2' HG22 ' A' ' 39' ' ' THR . 0.2 OUTLIER -73.63 140.86 78.8 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.59 0.71 . . . . 0.0 110.8 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HG3' ' CE3' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.76 -49.32 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.733 2.289 . . . . 0.0 112.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' PRO . 40.2 mtp180 -34.07 -67.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.624 HG22 ' OD2' ' A' ' 36' ' ' ASP . 9.0 t -68.65 -31.27 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -135.23 149.12 49.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -44.21 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.48 88.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -80.84 160.82 24.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -125.74 170.39 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.88 81.41 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.562 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.02 152.51 38.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.9 Cg_endo -69.73 -179.13 2.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -74.79 128.1 34.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.8 -38.8 2.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 47.3 m95 -71.3 133.44 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -124.29 170.45 10.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.2 ttp -131.04 136.19 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.527 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 36.3 mtp85 -151.87 175.17 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -138.32 133.13 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -68.97 170.65 9.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.88 -25.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.06 -30.59 27.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.76 30.78 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.547 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.29 122.66 67.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 112.46 3.07 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' HD2' HG21 ' A' ' 32' ' ' THR . 2.2 p90 -138.03 146.76 43.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.996 ' O ' HG23 ' A' ' 32' ' ' THR . 28.4 m-85 -103.58 146.91 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.79 131.08 72.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -97.85 126.44 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -79.83 -48.92 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -64.84 -47.14 79.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HB3' HG22 ' A' ' 31' ' ' THR . 42.5 mmt-85 -78.78 -20.23 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 57.77 36.27 26.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.56 HG22 ' HB3' ' A' ' 29' ' ' ARG . 14.7 t -135.48 165.8 24.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.996 HG23 ' O ' ' A' ' 24' ' ' PHE . 38.6 m -135.84 144.52 45.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.3 t -149.84 139.34 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.6 -34.41 76.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG2' ' C ' ' A' ' 40' ' ' GLY . 18.3 mt -55.25 135.44 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.92 136.77 69.77 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -25.63 28.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -85.71 -35.65 20.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.0 p -151.73 103.26 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' C ' ' CG2' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -59.12 150.75 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -103.32 145.18 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 55.54 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -120.63 135.11 55.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 0.0 110.794 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -61.4 -59.27 5.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.99 41.36 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.2 mt -72.79 156.15 90.14 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 54.4 Cg_endo -69.78 173.12 11.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.02 144.0 57.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.97 -38.58 2.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 41.2 m95 -70.12 128.77 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -111.27 167.63 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt -129.67 123.34 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 31.3 mtt-85 -138.22 175.42 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -130.55 136.33 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.8 p -68.69 161.93 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 p -42.05 -33.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -73.2 -38.13 66.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 111.84 42.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 22' ' ' PRO . 36.2 mm -101.87 138.38 19.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.537 0.684 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.75 105.08 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 6.2 p90 -137.61 158.3 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -116.72 173.27 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.4 t -143.52 130.54 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.09 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.568 ' OD2' ' CZ2' ' A' ' 12' ' ' TRP . 6.1 t0 -97.82 113.33 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -71.37 -50.24 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.0 -49.27 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 5.2 mmm180 -79.83 -24.25 41.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ASP . 75.8 mtt180 60.58 42.56 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 t -134.48 166.05 23.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -122.89 128.1 49.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -140.0 144.46 36.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -86.51 -32.46 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mm -67.75 118.4 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.706 ' HB3' HG22 ' A' ' 39' ' ' THR . 12.6 t0 -67.51 116.94 42.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -36.42 10.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 39' ' ' THR . 9.0 ptm180 -52.62 -40.03 62.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 36' ' ' ASP . 15.1 t -96.31 -36.63 10.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -66.5 -43.95 83.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -61.59 117.43 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.25 96.51 0.71 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -68.4 -30.92 69.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -58.23 169.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.11 58.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.445 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 24' ' ' PHE . 18.4 mt -72.05 153.85 92.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.703 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 53.6 Cg_endo -69.71 174.8 8.94 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -71.48 125.16 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 -40.49 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 58.0 m95 -71.92 139.19 48.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -126.13 157.89 36.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 ttt -110.35 139.47 45.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 32.7 mtp180 -157.25 167.83 29.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -130.76 131.69 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 82.7 p -68.63 165.71 18.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -43.14 -32.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -74.38 -37.24 63.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' THR . . . 108.93 41.12 1.46 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.501 HG23 ' HD2' ' A' ' 22' ' ' PRO . 58.3 mt -99.68 134.6 20.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' A' ' 21' ' ' ILE . 53.7 Cg_endo -69.74 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 8.9 p90 -120.33 149.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CZ ' ' OD1' ' A' ' 36' ' ' ASP . 38.5 m-85 -108.99 143.86 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 46.1 t -119.86 130.74 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 5.8 t0 -92.61 106.03 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -65.6 -42.42 91.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -69.26 -65.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 26' ' ' ASP . 8.4 mmm180 -63.97 -17.33 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 56.2 44.23 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -132.93 163.71 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 p -123.61 133.01 54.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -150.61 137.82 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -69.65 -33.55 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mm -57.39 143.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.598 ' OD1' ' CZ ' ' A' ' 24' ' ' PHE . 10.9 t0 -93.2 123.82 59.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HG3' ' CD2' ' A' ' 12' ' ' TRP . 53.1 Cg_endo -69.79 -40.42 5.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.8 ' HG3' HG22 ' A' ' 39' ' ' THR . 15.1 ptt180 -65.72 -46.85 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.8 HG22 ' HG3' ' A' ' 38' ' ' ARG . 2.9 t -157.65 105.89 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.979 . . . . . . . . 0 0 . 1 stop_ save_