data_2jq5_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 2jq5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.641 0.258 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.3 m -79.67 34.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -158.71 159.63 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.89 79.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.603 0 O-C-N 123.767 0.667 . . . . 0.0 113.892 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' CYS . 20.0 m -161.86 120.51 2.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.52 58.0 1.62 Allowed Glycine 0 C--N 1.334 0.424 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.632 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.6 mmmt -143.31 172.03 13.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.404 0.681 . . . . 0.0 109.591 -169.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.6 p -78.47 -177.05 5.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 174.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.88 -55.98 12.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.61 -56.62 19.1 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.549 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.06 -23.46 65.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.859 0.361 . . . . 0.0 111.569 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.632 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 14.3 t -98.91 -84.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.872 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 55.2 m -73.67 -21.1 60.37 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -55.11 -55.22 29.29 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.696 -0.502 . . . . 0.0 114.15 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.588 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 20.2 Cg_endo -61.46 -30.04 86.09 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.463 2.109 . . . . 0.0 112.591 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.3 mm? -74.76 -51.33 14.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.119 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 38' ' ' ALA . 19.9 mt -67.3 -22.06 65.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.23 -6.14 54.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.751 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 59.19 21.81 9.94 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -101.81 -30.3 11.36 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 75.5 ttt180 -127.27 140.42 52.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.724 0.297 . . . . 0.0 110.989 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -82.81 140.69 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.313 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.05 74.69 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.633 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.57 14.78 7.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.056 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 t -160.3 141.95 9.3 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.36 -48.31 11.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.681 2.254 . . . . 0.0 111.764 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.8 pt-20 -63.97 -42.81 97.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.229 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.5 -34.71 72.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -75.09 -42.96 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.765 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -61.59 -52.33 64.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.97 -173.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -72.86 -21.85 60.87 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.96 -173.267 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.428 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 63.2 m -74.32 -39.24 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HG3' HD13 ' A' ' 31' ' ' LEU . 12.5 mtm180 -65.54 -41.3 93.2 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.058 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 46.8 t80 -51.73 -41.93 61.9 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.775 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.52 88.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.1 -34.5 77.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.72 -45.54 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.314 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.57 65.14 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.856 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.74 16.34 23.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.595 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HB3' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.06 23.82 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.525 1.13 . . . . 0.0 113.475 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.27 67.03 10.01 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -70.91 -15.59 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.79 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 34.3 t70 -59.92 -49.13 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.461 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 63.4 t80 -57.43 -42.0 81.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.563 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 38' ' ' ALA . 40.2 mm -55.0 -58.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.858 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.1 -46.42 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 49.2 mt-10 -57.78 -40.68 80.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.433 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -94.5 22.02 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.189 0.519 . . . . 0.0 111.429 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' HB2' ' A' ' 55' ' ' ARG . 61.8 m -100.19 151.06 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.865 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 14.4 t70 -47.18 138.97 7.64 Favored Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.874 0.734 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.14 -36.88 47.13 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.881 2.387 . . . . 0.0 112.277 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.29 -45.92 44.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.8 mmt180 -74.82 -25.11 58.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.321 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -62.38 -30.64 71.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.652 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.81 -23.02 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.659 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.53 -14.38 43.19 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.314 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -79.33 152.4 30.48 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.45 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -140.6 142.96 35.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -52.25 -50.68 61.57 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.342 0.401 . . . . 0.0 111.81 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.24 -39.37 65.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.16 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.465 ' HA ' ' CZ3' ' A' ' 67' ' ' TRP . 93.2 m-20 -62.5 -35.86 80.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.329 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 38.3 ttm-85 -73.37 -35.29 65.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.514 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.07 -41.25 34.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.343 -173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CZ3' ' HA ' ' A' ' 64' ' ' ASN . 4.9 m-90 -60.68 -49.07 79.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' A' ' 42' ' ' LYS . 22.8 ptm -68.55 -27.0 65.69 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.987 0.422 . . . . 0.0 110.689 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 14.1 mm-40 -64.67 -31.64 72.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.173 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.71 -19.82 12.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.8 m -123.69 101.08 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.7 t70 -75.4 110.9 10.15 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.698 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -72.97 114.41 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.701 0.286 . . . . 0.0 111.464 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.62 -61.15 1.66 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -148.11 148.68 30.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.069 0.461 . . . . 0.0 111.121 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -114.48 131.37 56.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -132.5 105.54 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -76.55 140.47 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.492 HD13 ' HG3' ' A' ' 91' ' ' GLU . 52.8 mt -102.06 -46.84 4.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.151 0.5 . . . . 0.0 110.199 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.98 162.73 32.83 Favored Glycine 0 CA--C 1.517 0.185 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.397 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -163.81 148.97 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.03 0.415 . . . . 0.0 110.562 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -153.89 130.46 10.67 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 34.3 tt0 -96.86 128.15 43.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -125.16 78.18 1.69 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.204 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.02 -79.21 0.1 Allowed Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.344 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 p -124.74 -4.04 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.34 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -120.78 133.33 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.78 156.57 18.82 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.207 -0.521 . . . . 0.0 111.888 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.3 m -147.22 132.85 18.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.71 125.51 21.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.221 0.534 . . . . 0.0 111.378 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.492 ' HG3' HD13 ' A' ' 79' ' ' LEU . 9.7 tp10 -92.44 132.3 36.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -151.61 170.4 19.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.66 0.743 . . . . 0.0 112.608 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' A' ' 107' ' ' HIS . 57.2 mt -132.82 119.65 38.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.21 173.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.54 114.38 28.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -95.0 118.3 31.58 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.135 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -139.03 151.73 47.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.59 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 9.3 ttp180 -89.38 107.29 18.98 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' PRO . 46.9 ttt85 . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.959 -174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 48.8 Cg_endo . . . . . 0 CA--C 1.533 0.441 0 N-CA-C 113.82 0.662 . . . . 0.0 113.82 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.57 113.53 25.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.358 173.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -105.57 149.0 26.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.9 p -125.23 118.8 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.121 0.486 . . . . 0.0 110.589 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -90.67 105.17 17.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.646 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.481 ' HB2' HG12 ' A' ' 93' ' ' ILE . 13.9 t-160 -97.97 119.09 35.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 24.4 pt-20 -162.45 172.23 15.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.091 0.472 . . . . 0.0 111.254 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 109' ' ' ARG . 34.3 ttp180 -119.29 117.99 30.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.035 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.42 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 68.1 m -103.91 134.74 46.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.397 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.54 142.07 27.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.415 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.24 144.33 50.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.047 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -108.0 133.98 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -96.43 122.11 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.06 122.47 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? 56.9 28.38 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.39 45.51 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.087 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 151.57 21.28 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.418 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 75.2 m95 -98.65 135.61 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.436 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -127.32 136.19 51.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.802 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -70.5 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.9 m -89.65 -52.69 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.87 165.13 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.633 0.254 . . . . 0.0 110.905 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -155.81 137.16 5.41 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.5 pt-20 -155.05 176.26 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -177.041 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 7.3 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.583 0.23 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.87 -23.05 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 111.127 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -96.72 157.05 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.76 81.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.585 0 O-C-N 123.792 0.683 . . . . 0.0 113.157 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' CYS . 25.2 m -163.81 115.4 1.38 Allowed 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.91 43.93 1.75 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.426 -0.416 . . . . 0.0 112.743 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 17.0 mtmt -136.4 167.74 20.77 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.9 p -68.37 169.67 10.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.464 0.173 . . . . 0.0 110.96 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -52.92 -57.38 10.48 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.1 -49.46 74.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.904 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.927 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 6.3 t -101.9 -80.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.835 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 m -73.58 -21.54 60.31 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.96 -55.34 18.84 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.047 -0.597 . . . . 0.0 114.255 -171.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.94 -25.83 27.34 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.09 1.86 . . . . 0.0 112.748 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD21 HH11 ' A' ' 23' ' ' ARG . 4.0 mm? -75.01 -45.16 43.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.988 0.423 . . . . 0.0 110.401 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD12 HD13 ' A' ' 41' ' ' LEU . 2.4 mt -69.88 -22.02 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.985 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.24 -8.63 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.608 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 61.97 17.67 9.19 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -92.15 -33.25 14.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.751 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 HH11 HD21 ' A' ' 18' ' ' LEU . 65.0 ttt-85 -105.89 130.82 53.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.577 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.511 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.2 p -84.88 125.14 32.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' ' 30' ' ' ALA . . . -60.89 -24.5 66.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.55 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 68.36 -2.29 1.62 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -154.06 149.69 21.18 Favored Pre-proline 0 C--O 1.235 0.331 0 C-N-CA 121.955 0.102 . . . . 0.0 110.729 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HB3' ' HB2' ' A' ' 112' ' ' PHE . 20.1 Cg_endo -59.08 -47.89 16.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 123.091 2.527 . . . . 0.0 112.569 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.8 pt-20 -60.01 -44.6 94.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.975 0.417 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.586 ' HA ' HH11 ' A' ' 33' ' ' ARG . . . -62.79 -44.35 96.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.513 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.2 tm? -66.31 -35.24 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -62.02 -51.73 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.567 -177.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.586 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.96 -29.21 65.15 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.137 -173.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -70.38 -42.86 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -62.58 -51.22 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.718 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.46 -40.6 59.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.245 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.04 -37.82 69.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -66.37 -26.01 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -62.76 -37.94 88.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.069 0.461 . . . . 0.0 110.058 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.83 -18.48 50.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.017 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 HD13 HD12 ' A' ' 19' ' ' LEU . 64.9 mt -105.25 20.04 19.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.776 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.55 23.08 0.07 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.431 1.092 . . . . 0.0 113.1 -178.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -95.74 70.03 2.96 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -68.6 -19.73 64.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.646 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.68 -39.91 80.36 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.79 -36.31 67.27 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 38' ' ' ALA . 23.1 mm -57.99 -56.3 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.191 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.492 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 16.6 t -57.69 -35.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.9 -48.01 83.45 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.413 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 p -89.24 22.15 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.716 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 52' ' ' ASP . 55.2 m -99.65 152.63 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.523 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 14.7 t70 -50.27 137.02 22.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 173.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.44 -33.39 92.04 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.89 2.394 . . . . 0.0 112.421 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -82.37 -43.06 17.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.292 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 122' ' ' SER . 31.2 mmt180 -67.96 -28.58 67.57 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 19.0 ttp180 -61.6 -17.45 55.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.9 -25.55 68.2 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.61 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.62 -15.42 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.822 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.79 94.32 9.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.85 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 63' ' ' VAL . 12.1 m-20 -91.82 142.82 27.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -53.39 -41.35 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.87 -51.58 68.71 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.74 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 60' ' ' ASP . 94.3 t -58.1 -45.59 88.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.335 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.379 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 42.3 ttm105 -71.37 -39.64 71.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.979 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.97 -27.08 17.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.771 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -61.05 -55.89 27.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.898 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.36 -24.15 62.92 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.859 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.2 mm-40 -66.39 -39.53 89.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.45 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.73 -29.74 12.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.595 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -134.59 115.91 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.991 0.424 . . . . 0.0 111.419 -176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.58 116.01 19.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.324 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -71.5 114.08 9.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 110.748 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.83 -59.57 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.802 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 31.3 tt0 -138.11 149.36 45.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.262 -169.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 tp -115.53 129.66 56.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.821 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 79.3 ttt180 -119.11 98.73 6.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.23 113.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.5 mt -83.46 -51.5 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.5 159.49 30.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.02 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -134.29 159.61 40.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.4 m -154.01 139.97 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.988 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.28 122.98 15.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.797 0.332 . . . . 0.0 110.257 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -113.88 49.88 0.96 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.268 0.556 . . . . 0.0 109.763 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.26 -82.89 0.54 Allowed Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.759 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 p -86.97 -29.79 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.714 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.516 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.6 tmm_? -124.14 136.09 53.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.516 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -141.73 171.58 24.36 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -154.66 148.14 25.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.73 132.47 48.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -100.65 132.97 45.77 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.629 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -151.23 -178.25 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.136 0.493 . . . . 0.0 111.17 -175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.449 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.1 mt -134.49 116.92 22.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.795 174.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 116.71 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.5 ttm-85 -95.96 117.61 30.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.763 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -137.13 147.64 46.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.88 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 52.4 ttp180 -89.99 106.92 18.8 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.423 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.532 0.385 0 N-CA-C 113.711 0.62 . . . . 0.0 113.711 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.0 mt-10 -84.51 154.99 22.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -151.94 149.63 29.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.5 p -134.38 144.92 48.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.608 0.242 . . . . 0.0 110.389 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -126.02 140.75 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -111.16 106.31 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -179.75 5.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 111.789 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.595 ' HE ' ' NE2' ' A' ' 111' ' ' GLN . 43.0 ttp180 -136.59 109.04 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.751 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.6 p -104.3 123.88 48.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.644 0.259 . . . . 0.0 110.972 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.595 ' NE2' ' HE ' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -90.11 148.95 22.69 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 175.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.402 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 76.1 m-85 -130.1 147.54 51.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.415 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.474 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 56.6 ttt180 -120.97 131.76 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.756 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -94.99 129.86 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.954 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.85 133.03 20.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.962 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 61.73 25.72 15.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.84 -3.2 87.43 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.502 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 41.5 mtt180 -122.26 138.47 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -173.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -88.0 144.36 26.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.837 -174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.25 142.63 47.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.87 122.49 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.615 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 16.5 m -90.85 -52.87 4.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -173.51 157.92 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 110.897 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.54 134.03 6.06 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.182 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -145.03 156.02 43.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.644 0.259 . . . . 0.0 110.606 179.662 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.235 0.064 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.1 m -68.98 78.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 122.185 0.993 . . . . 0.0 109.994 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.685 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 76.2 m -165.85 146.0 6.54 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.758 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.21 73.2 0.09 OUTLIER Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.8 p -170.88 129.6 0.78 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.01 58.63 3.93 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 3.4 mmpt? -134.01 158.63 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 44.4 p -78.61 178.64 7.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.255 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -58.92 -53.42 58.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.81 -56.37 16.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.42 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.59 -26.46 61.53 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.521 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 10' ' ' THR . 7.8 t -101.5 -82.97 0.46 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.3 m -74.98 -21.75 58.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -174.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.47 -55.66 15.92 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -169.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 46.2 Cg_endo -68.48 -26.43 34.34 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.185 1.923 . . . . 0.0 112.255 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 4.0 mm? -75.24 -47.15 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.919 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.31 -34.57 77.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.243 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.51 65.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.698 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 65.45 16.95 10.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.683 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -90.81 -23.23 20.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.588 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 49.2 ttt180 -128.76 140.23 51.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -83.07 141.63 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.97 70.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.637 0.256 . . . . 0.0 111.603 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.69 8.29 5.1 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.483 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -161.19 145.31 10.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.26 -52.26 6.89 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.829 2.353 . . . . 0.0 112.734 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -67.15 -33.1 74.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.669 0.271 . . . . 0.0 110.972 -178.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -62.49 -29.37 70.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -81.47 -42.69 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.14 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.505 ' HE1' HG22 ' A' ' 78' ' ' VAL . 20.5 ptt? -69.04 -31.97 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.573 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -76.84 -26.15 54.0 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.826 -177.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 32.4 p -77.39 -46.25 23.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -55.41 -50.14 70.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.105 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -52.41 -45.89 66.09 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.685 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -61.62 -32.03 72.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.225 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.0 -38.2 87.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.775 0.321 . . . . 0.0 110.649 177.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.52 62.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.514 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.52 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 92.2 mt -97.69 19.75 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.575 176.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 42.99 28.63 0.14 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.886 1.274 . . . . 0.0 113.541 177.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -103.16 85.92 2.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.448 0.642 . . . . 0.0 109.283 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 24.5 p90 -71.08 -11.63 61.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.195 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.23 -48.8 66.74 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.043 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.574 ' HH ' ' HB3' ' A' ' 18' ' ' LEU . 77.4 t80 -58.09 -34.02 69.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' CE1' ' A' ' 39' ' ' TYR . 34.9 mm -54.55 -52.46 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.207 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.45 -42.15 86.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -77.87 -3.18 40.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.429 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 p -114.81 12.53 16.99 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.162 0.506 . . . . 0.0 110.656 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 55' ' ' ARG . 35.2 m -90.65 152.08 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.415 173.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.48 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -51.32 137.5 29.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.36 -30.81 27.95 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -82.41 -46.97 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.073 0.464 . . . . 0.0 110.504 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 122' ' ' SER . 28.0 mmt180 -68.84 -24.52 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.928 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.97 -25.23 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.46 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.36 -27.06 68.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.551 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -86.09 -11.77 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.442 ' HD2' HD22 ' A' ' 64' ' ' ASN . 4.2 m-85 -89.74 170.74 10.17 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.288 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' HG21 ' A' ' 63' ' ' VAL . 31.6 t70 -169.65 147.53 3.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.074 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.16 -41.1 74.89 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.24 -49.44 71.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.621 0.724 . . . . 0.0 110.395 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 60' ' ' ASP . 6.6 t -64.36 -44.72 97.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.74 -174.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 3.6 m-20 -61.6 -36.48 80.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.513 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.582 ' HG3' ' HE2' ' A' ' 68' ' ' MET . 73.6 ttt180 -62.49 -49.34 75.76 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.85 36.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.146 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -63.15 -51.13 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.582 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 21.0 ptt? -66.45 -22.36 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.967 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 26.0 mm-40 -76.29 -39.14 55.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HG3' ' HG ' ' A' ' 71' ' ' SER . 11.6 pt-20 -86.83 -27.45 23.5 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.722 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.441 ' HG ' ' HG3' ' A' ' 70' ' ' GLU . 43.4 m -106.12 120.8 42.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 111.757 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 37.5 t70 -93.88 100.67 12.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.0 119.46 18.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -172.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -87.0 -64.98 1.06 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.793 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -156.06 150.77 26.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.8 tp -98.49 132.57 43.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.519 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.565 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 75.7 ttt180 -111.67 102.38 10.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.505 HG22 ' HE1' ' A' ' 32' ' ' MET . 96.7 t -87.08 117.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.419 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.3 mt -89.75 -56.15 3.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.836 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.61 158.88 27.37 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.267 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.4 p -142.48 159.72 41.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 111.183 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -149.38 123.47 9.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.326 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' HG3' ' CZ2' ' A' ' 119' ' ' TRP . 41.0 tt0 -86.15 121.42 28.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -110.53 54.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.03 -104.86 1.03 Allowed Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.644 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.0 m -86.23 -0.36 55.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.045 0.45 . . . . 0.0 111.058 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -134.66 166.36 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.79 164.8 33.83 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.859 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -146.2 139.06 25.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.53 135.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.419 ' HG2' HD12 ' A' ' 79' ' ' LEU . 31.7 tt0 -107.0 132.11 53.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.93 175.02 12.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.285 0.564 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.2 mt -132.81 115.4 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.408 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.34 111.81 22.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -95.4 117.24 30.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -139.97 171.75 13.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.6 ttp180 -120.06 121.89 39.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.055 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -176.652 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.078 0.366 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 44.5 mt-10 -87.29 171.05 10.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.027 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -161.84 148.67 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.572 170.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 15.7 p -127.68 111.73 14.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -88.76 107.64 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -93.89 101.08 13.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.088 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.15 158.02 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.413 0.625 . . . . 0.0 111.535 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -111.77 105.13 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.402 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 t -100.83 136.93 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 111.331 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.39 139.23 36.36 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.769 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -124.54 142.42 51.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.305 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -109.64 138.02 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.984 0.421 . . . . 0.0 110.346 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -88.77 104.81 17.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.291 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -114.09 120.35 40.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.438 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 61.51 23.85 14.05 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.4 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.01 66.29 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.181 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.8 mpt_? -98.23 149.03 23.01 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.407 ' CZ2' ' HG3' ' A' ' 83' ' ' GLU . 94.9 m95 -89.33 137.6 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -134.93 141.68 46.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.226 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -67.05 114.31 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.544 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 36.8 m -91.49 -54.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.803 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.84 172.66 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.842 0.353 . . . . 0.0 110.781 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.25 151.79 16.48 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -158.93 152.34 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.858 0.329 . . . . 0.0 110.563 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.328 177.064 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.546 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.6 m -69.66 76.53 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 122.146 0.974 . . . . 0.0 109.943 173.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.825 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 72.1 m -168.11 164.46 13.48 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.371 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.39 55.21 1.97 Allowed Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 166.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -154.91 118.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.26 -17.0 67.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.271 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.9 mtpt -59.92 161.09 6.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 111.215 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.587 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.8 p -74.57 177.31 6.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.019 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -54.7 -53.35 56.06 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -56.36 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.337 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.99 -18.86 65.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.643 -174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.0 t -105.27 -76.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 111.424 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 50.4 m -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -53.65 -55.34 25.73 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 121.125 -0.559 . . . . 0.0 114.139 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 23.8 Cg_endo -62.93 -30.4 76.91 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.137 1.892 . . . . 0.0 112.377 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.12 -52.13 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.78 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 15' ' ' CYS . 32.8 mt -69.52 -21.28 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.103 -177.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB1' HG21 ' A' ' 22' ' ' THR . . . -82.53 -10.81 58.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.028 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.7 9.91 3.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.929 0.491 . . . . 0.0 111.49 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.458 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.8 t -79.99 -16.75 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.9 ttm-85 -151.2 141.14 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.674 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -97.66 153.34 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.984 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.47 8.12 2.7 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.116 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -150.4 137.86 11.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.73 -44.01 34.29 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.652 2.235 . . . . 0.0 112.047 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 12.4 pt-20 -66.15 -43.69 86.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.565 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -67.06 -27.11 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.514 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.93 -41.12 23.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.885 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.616 ' HE3' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.708 -178.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.565 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.79 -23.18 49.23 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 -178.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 p -77.56 -44.05 29.79 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 47' ' ' ILE . 41.1 mtp180 -62.12 -38.76 90.13 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.503 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -50.93 -48.16 60.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.245 0.545 . . . . 0.0 110.254 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.825 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -67.47 -39.23 85.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.961 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.9 81.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.169 0.509 . . . . 0.0 110.451 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.78 -37.45 79.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.803 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.84 -22.55 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.834 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.9 mt -94.79 20.07 9.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.924 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 47.99 23.93 0.56 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.494 1.118 . . . . 0.0 112.9 178.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -101.38 78.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 39.3 p90 -68.26 -19.32 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.406 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.558 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 28.2 t70 -59.83 -45.63 91.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.05 -35.46 80.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.672 0.272 . . . . 0.0 110.375 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 ' CD1' ' A' ' 39' ' ' TYR . 47.3 mm -56.29 -47.83 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.81 HG12 ' HE ' ' A' ' 56' ' ' ARG . 38.4 t -67.2 -36.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.389 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 48.1 mt-10 -61.85 -38.85 89.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.024 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -95.25 18.11 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.624 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -90.86 152.68 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.438 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 12.7 t70 -52.07 133.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 123.275 0.36 . . . . 0.0 110.376 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -41.34 -32.53 1.26 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.995 3.13 . . . . 0.0 112.532 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.01 -44.51 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.418 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 123' ' ' GLU . 16.1 mmt85 -68.69 -23.61 64.41 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.942 0.401 . . . . 0.0 110.501 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.81 ' HE ' HG12 ' A' ' 48' ' ' VAL . 39.7 ttt180 -62.29 -28.85 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.964 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.91 -25.86 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -77.25 -18.08 57.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -78.43 165.46 23.77 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -147.65 136.29 21.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.557 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -58.17 -46.55 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.885 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.34 -51.84 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.688 0.28 . . . . 0.0 110.831 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.03 -40.43 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' OD1' ' HB2' ' A' ' 44' ' ' PHE . 3.2 t-20 -62.86 -48.18 80.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.17 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.643 ' HG3' ' HE2' ' A' ' 68' ' ' MET . 19.2 ttp180 -60.16 -48.63 80.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -37.94 20.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.412 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -67.06 -51.79 50.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.067 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.643 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 25.2 ptt? -66.13 -20.0 66.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.573 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 15.7 mm-40 -68.98 -32.19 71.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.302 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -108.01 10.68 28.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 68' ' ' MET . 47.0 t -121.41 84.13 2.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.145 0.497 . . . . 0.0 110.638 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 17.8 t0 -77.06 106.49 8.79 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.65 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -77.87 126.9 31.54 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 111.693 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -106.48 -53.95 2.55 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.732 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -145.23 154.13 42.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.024 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -123.52 146.54 48.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 74.1 ttt180 -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.616 HG22 ' HE3' ' A' ' 32' ' ' MET . 61.7 t -79.41 126.11 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.051 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.426 HD11 ' HG3' ' A' ' 91' ' ' GLU . 78.1 mt -101.91 -53.04 3.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 110.934 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 90' ' ' VAL . . . -155.16 159.8 29.34 Favored Glycine 0 C--O 1.23 -0.156 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 p -153.59 139.33 17.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.723 0.261 . . . . 0.0 110.46 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 m -148.79 129.72 14.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -101.39 117.72 35.52 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -112.82 73.21 0.8 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.81 -113.62 4.66 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.561 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 p -94.83 6.07 50.05 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.956 0.408 . . . . 0.0 111.398 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.58 140.57 31.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.29 174.4 21.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.074 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.2 m -152.62 145.45 24.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.401 HG11 ' HG2' ' A' ' 32' ' ' MET . 6.3 p -141.99 134.11 27.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.11 0.481 . . . . 0.0 110.848 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' HD11 ' A' ' 79' ' ' LEU . 6.8 tp10 -100.65 125.6 47.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.929 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -146.97 172.55 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.122 0.487 . . . . 0.0 111.507 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 92.4 mt -133.86 108.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.493 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.98 113.21 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.431 HH21 ' CD ' ' A' ' 103' ' ' GLU . 35.3 ttt85 -94.7 117.93 30.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -131.61 -174.84 3.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.76 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 16.5 ttp180 -123.77 119.53 30.01 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 C--O 1.235 0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.955 -173.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 C--O 1.238 0.496 0 N-CA-C 113.525 0.548 . . . . 0.0 113.525 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 35.6 mt-10 -75.05 166.49 23.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.34 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -157.39 145.87 19.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.614 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -102.17 148.63 25.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 4.6 t-80 -121.66 104.18 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -121.79 114.75 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 1.5 pm0 -160.17 159.78 32.08 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.724 0.773 . . . . 0.0 112.152 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -93.76 110.71 22.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.47 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 p -98.53 134.2 41.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.44 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.74 136.54 37.93 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.314 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -130.49 142.07 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 72.4 ttt180 -105.68 142.51 35.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.185 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -104.05 106.66 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.061 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -112.4 119.27 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.2 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 7.5 mpt_? 59.09 24.41 12.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.203 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.26 -12.81 69.02 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 113.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.6 mpt_? -93.22 147.16 23.14 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -99.19 135.29 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.16 148.44 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.745 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -72.16 123.8 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.856 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 m -101.38 -57.25 2.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.471 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 9.5 pt-20 -165.46 -176.86 4.17 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.11 169.74 42.8 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -144.47 138.88 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.702 0.251 . . . . 0.0 110.328 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 108' ' ' GLU . . . . . . . . 0 C--O 1.237 0.406 0 O-C-N 123.402 0.439 . . . . 0.0 110.385 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 3.3 t . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.3 m -72.6 65.89 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 0.0 110.596 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 8.5 m -161.4 140.53 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.033 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.1 95.51 0.07 OUTLIER Glycine 0 C--N 1.332 0.335 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 p -171.64 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.715 0.293 . . . . 0.0 110.772 -174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.41 8.97 87.4 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.34 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 25.6 mtmt -104.27 163.32 12.5 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 78.0 p -67.53 172.99 4.46 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.373 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.565 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 51.5 t80 -60.91 -56.76 17.35 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.34 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -64.49 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.974 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.41 -56.86 11.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 109.946 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -73.66 -72.29 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.888 -176.155 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 52.3 m -73.63 -28.43 61.79 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.6 -55.19 14.36 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 114.689 0.636 . . . . 0.0 114.689 -169.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 -25.71 27.39 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.145 1.897 . . . . 0.0 112.666 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HG ' ' OG ' ' A' ' 34' ' ' SER . 4.6 mm? -75.2 -51.66 12.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.473 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD23 ' CG ' ' A' ' 46' ' ' TYR . 47.0 mt -63.39 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.645 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB3' HG21 ' A' ' 22' ' ' THR . . . -71.45 -7.58 48.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 64.71 12.86 7.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.177 0.591 . . . . 0.0 111.642 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 t -90.75 -27.39 18.96 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.954 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -109.47 133.53 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 110.997 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.1 p -90.92 124.77 35.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.153 172.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.76 53.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.85 12.01 2.82 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.961 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -158.13 131.18 4.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.95 -42.3 68.23 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.876 2.384 . . . . 0.0 111.958 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 7.3 pt-20 -61.43 -45.67 93.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.397 178.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -66.2 -34.29 77.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.18 -47.68 78.89 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 68.4 mmm -62.21 -47.88 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 176.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -57.4 -34.39 68.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.346 -178.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.48 ' OG ' ' HG ' ' A' ' 18' ' ' LEU . 28.1 m -78.12 -51.53 10.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.651 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HB2' HD12 ' A' ' 47' ' ' ILE . 14.6 ptt180 -72.56 -31.07 64.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.658 -172.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -53.81 -38.04 64.16 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.488 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -64.03 -38.98 93.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.238 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CE1' HG13 ' A' ' 47' ' ' ILE . 2.4 m-30 -62.26 -47.37 84.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.013 0.435 . . . . 0.0 110.089 174.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.88 -25.6 65.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.281 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.9 mt -105.54 19.46 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.53 31.25 0.59 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.48 1.112 . . . . 0.0 113.745 176.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 29.6 t70 -102.43 79.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.9 p90 -71.31 -10.89 60.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.53 -55.52 21.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.944 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.474 ' CG ' HD23 ' A' ' 19' ' ' LEU . 69.9 t80 -60.23 -32.27 70.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.508 HG13 ' CE1' ' A' ' 39' ' ' TYR . 45.0 mm -61.76 -47.52 92.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.388 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 44' ' ' PHE . 22.0 t -63.75 -35.13 71.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.768 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -77.22 -5.53 49.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.2 p -115.78 17.8 15.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 52' ' ' ASP . 32.0 m -99.01 152.85 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.76 174.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' N ' HG21 ' A' ' 51' ' ' THR . 17.7 t70 -53.06 138.41 46.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.67 -28.06 44.91 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.88 2.387 . . . . 0.0 112.448 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.66 -52.24 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -65.01 -17.58 64.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.167 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HD2' HG12 ' A' ' 48' ' ' VAL . 21.9 ttp180 -62.72 -25.18 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.919 0.39 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.93 -29.95 70.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.28 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.6 mt -79.55 -8.27 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.66 124.52 34.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.49 147.9 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.78 -42.85 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.224 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.97 -55.11 24.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.435 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -36.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.998 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.47 -46.59 87.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.156 0.503 . . . . 0.0 109.874 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 25.9 ttp-105 -67.47 -32.97 74.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.42 -33.06 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.184 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -65.91 -47.03 76.12 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.7 ptm -69.57 -24.21 63.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.295 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.9 mm-40 -77.08 -37.9 53.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.61 -25.33 33.3 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.118 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.1 m -147.51 138.05 23.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.379 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.28 103.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 98.8 m-85 -63.59 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 -177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.42 -53.66 2.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.62 -171.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.53 146.06 32.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 -169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -118.3 148.65 42.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -142.17 109.5 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.077 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -84.17 122.62 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.8 mt -92.53 -51.36 5.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.204 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.85 161.0 28.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.957 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 p -159.15 145.46 16.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -148.15 130.52 15.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.243 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -106.45 114.98 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -110.18 68.55 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.657 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.74 -105.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.599 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.0 m -92.9 -9.52 39.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -108.55 151.75 25.68 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.86 157.96 28.19 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -150.46 142.54 24.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.34 131.72 30.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.45 132.5 49.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -149.33 179.66 7.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.201 0.524 . . . . 0.0 111.694 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 106' ' ' HIS . 41.5 mt -134.96 119.88 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.197 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.09 115.43 30.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -95.05 136.13 35.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -151.28 163.6 38.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.868 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 38.0 ttp180 -89.87 111.71 22.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.474 -172.254 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.254 0.439 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 42.7 mt-10 -87.01 164.72 16.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.922 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -158.49 148.22 19.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.8 p -128.76 124.32 35.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.811 0.339 . . . . 0.0 110.737 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 5.5 m-70 -84.46 144.97 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -126.92 99.87 5.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.39 -177.26 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.748 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -139.95 119.27 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.2 t -104.8 134.94 47.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.451 . . . . 0.0 110.914 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.68 140.77 31.58 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.462 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 90.7 m-85 -128.51 154.22 46.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 -176.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -112.44 136.05 52.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.577 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.405 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 66.4 tttt -95.38 106.04 18.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.85 124.8 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.28 21.17 12.32 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.369 0.604 . . . . 0.0 109.734 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.03 -13.87 65.86 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.998 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -96.07 149.35 21.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 89.0 m95 -93.38 130.31 39.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.677 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 91.4 m-85 -127.33 133.25 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.559 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -57.91 123.92 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.1 m -102.17 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.106 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.4 -175.58 5.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.0 151.64 5.83 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.27 178.89 9.79 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.27 177.523 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.548 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 17.4 m -71.58 69.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 122.095 0.95 . . . . 0.0 109.993 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.784 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 35.0 m -166.4 119.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.072 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 76' ' ' LEU . . . -60.45 81.47 0.02 OUTLIER Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.877 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.411 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 13.4 m -148.86 -31.78 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.494 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 38.35 14.74 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.027 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.8 mmmt -124.93 152.07 44.59 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.8 p -69.54 174.53 4.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.354 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -61.31 -49.31 77.52 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.04 -57.51 8.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.474 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.62 -24.29 67.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.581 -174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 29.6 t -95.82 -87.97 0.28 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.399 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 68.0 m -75.04 -21.26 59.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -174.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.12 13.74 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 34.5 Cg_endo -68.12 -26.31 36.73 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.831 1.687 . . . . 0.0 112.488 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.95 -51.88 11.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 mt -72.22 -21.28 61.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.85 -5.56 48.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.453 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? 57.18 21.45 6.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -97.42 -19.17 18.63 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 35.2 ttm180 -139.44 140.51 37.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.716 0.293 . . . . 0.0 111.048 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.5 p -90.98 131.38 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' ' 18' ' ' LEU . . . -54.8 -32.36 60.15 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.37 10.94 4.22 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.816 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 42.3 t -149.19 134.01 9.25 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.21 -49.17 14.79 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.839 2.359 . . . . 0.0 112.357 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 15.0 pt-20 -69.09 -42.42 76.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.801 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 27' ' ' SER . . . -61.59 -34.29 75.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 110.472 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.81 -43.91 43.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.232 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.454 ' HE1' HG22 ' A' ' 78' ' ' VAL . 14.8 tmm? -61.94 -50.36 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.808 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.35 -22.77 63.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.657 -175.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -77.47 -36.04 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 109.817 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -66.35 -41.45 89.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.119 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -53.99 -45.42 71.44 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.726 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.784 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -61.96 -34.4 76.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.306 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -62.36 -31.72 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.732 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.62 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 6.1 m-85 -67.66 -44.37 78.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.9 0.381 . . . . 0.0 110.515 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.27 75.03 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.382 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.515 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 88.3 mt -90.05 14.18 12.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.382 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 40.69 34.64 0.26 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.55 1.14 . . . . 0.0 113.346 178.092 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -102.92 74.77 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 170.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 49.1 p90 -71.76 -10.99 60.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.36 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.09 -50.52 73.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.18 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -55.55 -34.35 64.66 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.48 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 38' ' ' ALA . 45.1 mm -62.61 -54.08 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.391 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.1 -45.28 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.734 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.36 -38.61 77.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 p -90.11 19.77 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.546 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -101.54 147.71 26.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.742 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -50.63 137.42 24.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.636 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.85 -40.39 48.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.982 2.454 . . . . 0.0 112.668 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.5 -37.08 44.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.162 -177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 11.1 mmt85 -79.05 -24.1 43.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 110.024 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -66.12 -25.06 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.068 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.49 -30.11 69.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.154 0.502 . . . . 0.0 110.315 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.41 -23.13 58.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.01 98.5 2.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.22 150.03 23.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.664 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -58.65 -52.6 65.01 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.24 -45.34 85.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.81 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.646 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.3 t30 -65.05 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 17.2 ttt180 -73.52 -39.53 64.72 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.452 174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.12 -41.4 35.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.036 -174.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.64 -49.11 78.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.62 ' HB3' ' HD2' ' A' ' 39' ' ' TYR . 27.4 ptt? -71.32 -19.52 62.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 19.6 mm-40 -75.27 -42.68 54.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -84.72 -20.66 30.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 m -114.72 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 30.1 t70 -77.44 89.96 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.474 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.6 m-85 -58.62 128.93 39.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.172 0.51 . . . . 0.0 111.948 -172.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 97' ' ' ARG . 84.9 mt -111.66 -50.34 2.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -161.29 151.22 17.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' HB3' ' H ' ' A' ' 6' ' ' GLY . 57.9 tp -107.42 140.6 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.071 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -128.87 99.72 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG22 ' HE1' ' A' ' 32' ' ' MET . 67.6 t -81.47 121.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.332 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.52 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.6 mt -85.76 -49.6 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.964 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.33 168.8 41.44 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.44 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.5 p -157.56 152.88 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.724 0.297 . . . . 0.0 110.703 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 m -146.33 135.14 22.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.147 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.97 115.18 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.23 81.66 1.54 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.17 -111.41 4.08 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.359 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -98.49 -0.64 43.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 110.664 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -104.93 132.58 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.95 144.48 16.44 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.792 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -137.45 134.79 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.585 0.193 . . . . 0.0 110.558 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -139.05 121.85 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.225 0.535 . . . . 0.0 110.288 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' A' ' 79' ' ' LEU . 39.7 tt0 -102.05 134.32 45.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.805 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -155.28 -179.23 7.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.852 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.7 mt -133.5 118.06 29.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.706 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.2 111.34 22.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.848 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -95.03 119.78 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.6 p90 -144.23 155.23 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 110.918 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 17.3 ttp180 -90.12 126.76 35.91 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.478 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 27.2 tpt180 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 89.2 Cg_endo . . . . . 0 C--O 1.234 0.281 0 N-CA-C 113.164 0.409 . . . . 0.0 113.164 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.81 105.86 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.274 0.559 . . . . 0.0 109.523 174.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.0 155.04 22.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.843 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 114.79 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 111.06 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.74 130.44 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.617 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -113.86 118.84 35.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.86 169.08 17.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.564 0.697 . . . . 0.0 111.564 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -126.95 103.76 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.347 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 m -92.72 125.06 37.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.948 0.404 . . . . 0.0 110.899 -174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.578 ' N ' HE21 ' A' ' 111' ' ' GLN . 0.0 OUTLIER -104.23 132.78 50.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.809 175.557 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -113.87 139.28 49.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.861 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.466 HH21 ' CG ' ' A' ' 52' ' ' ASP . 34.8 ttp180 -103.9 127.71 51.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -80.42 106.1 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.86 126.55 55.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.156 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 61.1 23.45 13.64 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -10.06 74.25 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.4 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 1.5 mpt_? -105.5 152.99 22.34 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -90.23 136.04 33.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 87.4 m-85 -128.57 131.15 48.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.462 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.66 118.4 6.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.812 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 m -104.0 -47.72 4.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.911 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.81 132.8 15.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 111.365 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.41 81.75 0.34 Allowed Glycine 0 C--N 1.332 0.346 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -80.42 134.8 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.735 0.302 . . . . 0.0 111.078 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 178.279 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.5 t . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.5 m -66.31 77.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.001 0.905 . . . . 0.0 110.246 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.786 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 59.8 m -164.41 138.83 5.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.03 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.16 86.26 0.01 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 171.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -175.65 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.156 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.31 -10.49 73.02 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.734 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 25.3 mtmt -70.94 171.21 11.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.351 0.12 . . . . 0.0 110.745 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.528 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 52.9 p -73.22 172.28 11.42 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.702 0.287 . . . . 0.0 110.984 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.18 -53.97 52.09 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.75 -56.59 17.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.68 -32.29 65.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.384 0.611 . . . . 0.0 110.832 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.6 t -97.84 -79.96 0.46 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.856 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 57.2 m -74.09 -23.5 59.34 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.59 14.21 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 114.553 0.581 . . . . 0.0 114.553 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 42.3 Cg_endo -70.79 -26.6 22.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.04 1.827 . . . . 0.0 112.724 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.51 HD21 ' HG2' ' A' ' 17' ' ' PRO . 3.6 mm? -75.97 -47.15 26.16 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.465 -177.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD22 ' CG ' ' A' ' 46' ' ' TYR . 15.6 mt -62.15 -31.25 71.71 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.07 -16.78 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.614 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? 63.94 13.39 7.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.38 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -68.06 -31.49 71.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.121 0.486 . . . . 0.0 110.391 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 64.4 ttt180 -121.37 131.28 54.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 m -86.17 118.83 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.989 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.01 -38.52 57.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.569 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.28 12.8 5.45 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.948 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -145.78 131.27 9.29 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.83 -52.82 7.59 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.974 2.45 . . . . 0.0 112.541 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 4.5 pt-20 -66.93 -37.84 85.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.983 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.63 -40.12 86.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.22 0.533 . . . . 0.0 110.714 -178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.88 -44.88 46.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.758 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.615 ' HE1' HG22 ' A' ' 78' ' ' VAL . 17.1 tmm? -61.78 -49.27 77.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.991 -173.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.17 -27.05 66.08 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.789 -176.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -76.94 -34.26 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 175.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -64.93 -45.77 84.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.82 -44.04 66.38 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -55.58 -35.08 65.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.043 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -61.2 -36.46 79.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.49 -41.68 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.74 65.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.977 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -96.74 20.17 11.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 47.97 21.98 0.35 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.467 1.107 . . . . 0.0 113.388 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 15.7 m-20 -96.24 57.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HZ ' HH21 ' A' ' 65' ' ' ARG . 46.8 p90 -69.22 -14.03 62.73 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.697 -172.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.98 -36.05 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.23 0.538 . . . . 0.0 109.919 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.424 ' CG ' HD22 ' A' ' 19' ' ' LEU . 60.8 t80 -64.13 -32.42 73.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.745 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.5 mm -56.68 -43.04 78.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.944 177.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.81 -44.09 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.818 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.51 -27.64 57.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.584 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 p -104.62 22.74 14.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.668 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.519 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 34.4 m -99.73 150.02 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 7.1 t70 -49.25 131.7 17.0 Favored Pre-proline 0 N--CA 1.466 0.327 0 O-C-N 123.43 0.456 . . . . 0.0 110.199 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.46 -19.39 17.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.425 2.083 . . . . 0.0 111.917 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.31 -32.58 14.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 122' ' ' SER . 14.1 mmt85 -92.46 -15.53 27.0 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.723 0.297 . . . . 0.0 111.161 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 9.4 ttp180 -63.78 -21.18 66.29 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.93 0.395 . . . . 0.0 111.256 -172.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.25 -29.41 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.49 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 58' ' ' LEU . 5.1 mp -83.29 -1.74 53.96 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.211 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -95.4 128.26 42.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -122.7 145.24 48.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.873 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.01 -48.21 82.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.047 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.49 -46.3 90.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.377 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.85 -51.47 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -58.96 -39.29 81.24 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.202 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.549 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 15.0 ttm180 -61.08 -47.72 85.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -51.04 -42.45 60.5 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -59.88 -48.87 79.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.238 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.422 ' HE1' ' HB2' ' A' ' 68' ' ' MET . 20.3 ptm -71.87 -19.71 61.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.11 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.1 mm-40 -78.52 -42.9 28.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.628 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.494 ' HG3' ' HG ' ' A' ' 71' ' ' SER . 11.0 pt-20 -78.97 -23.85 44.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 110.978 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.494 ' HG ' ' HG3' ' A' ' 70' ' ' GLU . 17.6 m -134.5 108.5 8.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -78.95 114.92 18.29 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.62 116.26 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.53 -44.54 6.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 35.1 tt0 -142.72 142.26 31.94 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.534 -170.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.8 tp -111.37 134.49 52.91 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -125.65 98.71 5.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG22 ' HE1' ' A' ' 32' ' ' MET . 57.3 t -80.0 118.59 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.506 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.0 mt -89.28 -50.64 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.05 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.39 159.42 32.72 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 p -141.21 156.81 45.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.774 0.287 . . . . 0.0 110.725 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -152.98 119.67 5.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.418 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 31.8 tt0 -102.45 116.0 31.72 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -114.81 82.06 1.67 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.224 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.02 -75.86 0.59 Allowed Glycine 0 CA--C 1.521 0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.813 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.3 m -137.09 -17.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -95.83 133.05 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.72 164.36 25.74 Favored Glycine 0 CA--C 1.506 -0.517 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.375 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.2 m -151.03 140.48 21.49 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.5 124.48 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' A' ' 79' ' ' LEU . 35.2 tt0 -97.48 133.87 41.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.494 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -148.99 169.26 21.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.344 0.592 . . . . 0.0 111.231 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -124.52 115.42 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.926 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.0 117.82 30.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.09 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 6.1 ttm180 -94.76 126.22 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -141.15 152.91 45.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -89.33 112.44 23.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.068 -175.361 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 C--O 1.237 0.459 0 CA-C-O 121.228 0.428 . . . . 0.0 113.15 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -94.24 111.63 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.397 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -101.36 147.09 26.73 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -115.81 143.91 44.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.98 0.419 . . . . 0.0 111.248 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -119.4 106.31 12.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.711 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.53 104.92 17.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 125' ' ' GLU . 27.4 tt0 -131.94 145.95 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 0.0 111.274 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 37.2 ttp180 -114.79 101.65 9.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.738 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -95.84 140.11 31.09 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.23 140.43 30.15 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.748 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -126.91 157.54 39.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.948 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -120.6 134.74 55.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.103 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -92.89 106.54 18.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.244 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 127.13 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.22 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 61.04 20.52 10.95 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.36 0.6 . . . . 0.0 110.522 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.21 64.73 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.766 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.457 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 2.5 mpt_? -89.98 157.33 17.88 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.455 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 72.8 m95 -104.83 127.7 52.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.04 0.448 . . . . 0.0 110.576 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 99.0 m-85 -121.43 140.42 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.022 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 34.3 t80 -66.02 121.41 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.082 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 31.0 m -97.18 -50.6 4.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -166.1 171.63 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.18 170.23 39.34 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 12.9 pt-20 -172.81 153.75 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.252 0.221 . . . . 0.0 110.473 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.128 177.337 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.0 t . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.551 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.6 m -61.01 81.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 122.06 0.933 . . . . 0.0 110.075 173.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 75.1 m -167.43 168.4 13.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.878 -175.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.77 3.26 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -158.89 116.26 2.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.42 -2.66 43.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.004 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -71.41 166.85 20.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.829 0.347 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 72.1 p -71.82 -179.65 2.77 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 68.1 t80 -59.77 -50.92 71.94 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.793 172.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.24 -57.01 10.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.205 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.43 -33.09 67.55 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.24 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.48 -77.63 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.828 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 56.5 m -73.94 -21.77 59.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.84 -54.68 17.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.666 -0.519 . . . . 0.0 114.333 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 37.7 Cg_endo -67.8 -28.83 36.17 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.7 mm? -75.47 -51.16 13.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.863 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 15' ' ' CYS . 11.8 mt -69.24 -21.56 63.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' HG21 ' A' ' 22' ' ' THR . . . -71.84 -10.88 60.41 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.658 175.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 65.6 8.97 5.51 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.125 0.57 . . . . 0.0 111.403 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 20' ' ' ALA . 9.3 t -93.48 -41.46 9.77 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 73.1 ttt180 -106.24 143.13 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.276 -175.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 p -90.4 134.66 34.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.236 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 111.035 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.66 5.36 3.84 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.096 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -151.75 138.53 11.98 Favored Pre-proline 0 C--O 1.235 0.316 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.99 -43.79 40.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.558 2.172 . . . . 0.0 111.697 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.1 pt-20 -67.69 -38.67 84.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.465 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -64.71 -26.96 68.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.015 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.09 -50.5 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.357 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.613 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -61.43 -38.82 88.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -170.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.613 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -75.45 -26.28 58.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.779 -176.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -76.25 -39.98 53.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -59.48 -44.48 93.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.832 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -54.2 -46.35 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.139 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.768 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.02 -41.21 91.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.92 71.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.42 -35.04 58.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.797 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.98 17.79 3.93 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.443 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.87 24.21 0.1 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.77 1.228 . . . . 0.0 113.608 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.03 68.96 10.19 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 172.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 39.9 p90 -64.6 -12.58 46.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' HG12 ' A' ' 48' ' ' VAL . 28.5 t70 -69.1 -45.89 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.77 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.11 -32.31 72.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.344 0.592 . . . . 0.0 109.637 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 39' ' ' TYR . 40.0 mm -63.46 -53.63 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.618 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.502 HG13 ' NE2' ' A' ' 61' ' ' HIS . 12.9 p -61.18 -34.62 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 110.28 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -64.05 -38.93 92.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.642 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -91.66 18.91 6.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.4 m -99.27 152.39 19.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.0 t70 -49.56 135.4 18.42 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 122.929 0.491 . . . . 0.0 110.28 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.74 -31.38 41.28 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.764 2.309 . . . . 0.0 112.143 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.72 -41.04 31.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.058 0.456 . . . . 0.0 110.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 122' ' ' SER . 34.3 mmt180 -76.42 -25.3 54.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.925 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.7 ttp180 -60.53 -22.0 63.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.46 -177.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.56 -43.31 94.34 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.359 174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 58' ' ' LEU . 3.3 mp -88.05 -16.71 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.94 77.45 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.076 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.594 ' HB2' HG22 ' A' ' 63' ' ' VAL . 11.5 m-20 -71.38 139.56 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.502 ' NE2' HG13 ' A' ' 48' ' ' VAL . 76.4 m80 -53.65 -39.48 65.06 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.46 172.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.86 -49.79 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.276 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 60' ' ' ASP . 61.4 t -61.07 -37.79 78.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.049 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.9 -45.23 90.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.256 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.651 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 15.4 ttm180 -58.98 -55.78 30.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.94 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.72 53.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.529 ' HB3' ' HH ' ' A' ' 39' ' ' TYR . 63.8 t-105 -68.37 -48.14 65.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.973 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.9 ptt? -64.86 -23.95 67.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.379 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.7 mt-10 -75.31 -44.38 45.75 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.251 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 12.1 pt-20 -80.57 5.46 15.32 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.731 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.6 p -158.07 110.14 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -84.43 102.3 12.68 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.4 m-85 -64.19 120.93 13.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.284 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -104.41 -55.07 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.042 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.0 tt0 -147.21 134.34 20.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -102.82 140.32 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -135.69 103.65 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 109.948 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 ' HE2' ' A' ' 32' ' ' MET . 58.8 t -73.92 136.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.991 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.3 mt -111.91 -52.35 2.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.589 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.0 160.3 28.99 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.457 ' HB3' HG22 ' A' ' 90' ' ' VAL . 26.3 p -163.95 143.2 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.76 0.28 . . . . 0.0 110.957 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 m -150.76 131.67 14.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.573 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -95.99 114.72 26.46 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -102.64 58.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.519 . . . . 0.0 109.665 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.6 -99.93 0.63 Allowed Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.46 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 m -91.4 -16.92 26.63 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.791 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.24 148.42 26.99 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.73 151.3 22.65 Favored Glycine 0 CA--C 1.507 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.761 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.9 m -140.89 128.35 21.26 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 81' ' ' SER . 3.7 p -138.24 125.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.18 132.63 52.83 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -153.6 -178.23 6.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.973 -175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.86 118.09 50.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.874 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 109.3 20.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.781 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.54 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 64.5 ttt180 -95.19 113.89 25.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.505 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -137.44 162.29 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.608 -178.529 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 74.0 ttt180 -89.95 121.45 32.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.525 -174.513 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo . . . . . 0 C--O 1.238 0.487 0 N-CA-C 113.88 0.685 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.3 mt-10 -74.07 160.85 30.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.053 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -147.59 139.78 24.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -110.82 112.37 24.18 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -103.11 132.81 49.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -126.18 115.36 19.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.687 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.17 171.71 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.439 0.638 . . . . 0.0 111.512 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 109' ' ' ARG . 33.8 ttp180 -127.79 101.46 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.178 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.489 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 42.9 m -97.46 128.7 44.45 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.093 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -91.35 143.99 26.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.747 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -129.69 156.68 43.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.291 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 113' ' ' ARG . 32.4 ttt85 -118.98 137.56 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.057 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 72.9 tttt -102.79 118.67 37.35 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.09 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.95 127.31 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.853 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 64.29 15.38 9.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.66 71.57 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.353 -0.451 . . . . 0.0 112.133 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.3 mpt_? -93.94 138.87 31.59 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 88.6 m95 -94.23 140.28 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.989 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.16 133.07 47.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.976 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.91 116.39 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 47.6 m -91.81 -45.68 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -173.25 167.25 4.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -154.09 112.7 0.54 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.993 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.95 128.98 38.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.904 -179.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 35.8 t . . . . . 0 CA--C 1.518 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.99 38.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.059 0.457 . . . . 0.0 110.912 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.722 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -168.62 105.7 0.44 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.652 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.69 -93.4 0.01 OUTLIER Glycine 0 C--N 1.335 0.478 0 O-C-N 123.682 0.614 . . . . 0.0 114.078 172.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -52.19 126.78 19.85 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.117 0.567 . . . . 0.0 111.805 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.88 10.34 26.33 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.96 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.6 mtmt -75.04 159.82 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 73.9 p -63.63 -178.12 0.27 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.427 0.632 . . . . 0.0 111.966 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.41 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.367 174.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 5.0 p-10 -72.94 -44.8 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.409 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.26 -34.4 70.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.777 0.322 . . . . 0.0 111.116 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 7.8 t -97.85 -80.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.622 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 m -73.53 -20.7 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -51.66 -55.18 21.47 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 -170.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 26.1 Cg_endo -63.46 -29.39 71.29 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.095 1.863 . . . . 0.0 112.274 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.753 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 3.2 mm? -75.33 -51.31 13.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.36 -32.57 73.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.979 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -8.41 57.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 59.43 19.1 7.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -93.86 -11.04 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.141 -174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 74.2 ttt180 -143.79 144.3 31.74 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.25 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 p -85.98 137.41 32.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.295 175.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.04 68.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.723 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.4 6.58 3.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.285 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.6 m -160.36 143.64 10.1 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 122.454 0.301 . . . . 0.0 110.346 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.94 -51.02 8.7 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.081 2.521 . . . . 0.0 112.636 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.7 pt-20 -60.45 -43.58 96.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.015 0.436 . . . . 0.0 110.653 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.515 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -60.75 -35.03 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.74 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 HD11 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -74.28 -51.23 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.525 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 13.0 tpt -60.45 -49.68 76.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.932 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.722 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.454 -175.491 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -72.81 -39.25 66.79 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 21.9 mtm180 -61.85 -43.37 98.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -51.99 -42.01 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 110.833 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.64 87.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.627 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.62 -37.44 87.33 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE1' HG13 ' A' ' 47' ' ' ILE . 14.3 m-85 -59.42 -47.93 83.57 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.006 0.431 . . . . 0.0 110.134 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.05 66.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.917 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.0 19.3 13.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.417 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.22 12.89 0.15 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.788 1.235 . . . . 0.0 113.634 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.0 73.06 3.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.342 0.591 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 44.5 p90 -71.97 -10.7 60.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.201 177.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.83 -53.96 48.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.348 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.753 ' HH ' ' HB3' ' A' ' 18' ' ' LEU . 32.0 t80 -56.39 -38.74 71.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.944 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' A' ' 38' ' ' ALA . 45.7 mm -57.95 -52.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.46 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -57.47 -38.41 63.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.439 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -68.54 -26.79 65.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.568 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -102.36 22.1 13.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.986 0.422 . . . . 0.0 111.329 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 52' ' ' ASP . 55.6 m -99.7 153.83 18.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 172.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD1' ' HD3' ' A' ' 113' ' ' ARG . 26.9 t70 -49.27 137.94 14.97 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.577 175.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.39 -27.22 57.19 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.975 2.45 . . . . 0.0 112.664 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -93.61 -47.24 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 9.0 mmt85 -64.55 -26.77 68.56 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.122 0.487 . . . . 0.0 110.308 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -60.79 -33.06 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.331 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.91 -23.15 65.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.4 -11.28 43.64 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.317 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -78.31 147.2 34.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.201 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -126.65 146.48 50.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.346 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -64.95 -34.63 78.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 -51.19 68.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.216 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.64 -52.45 60.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 84.4 m-20 -58.34 -37.31 74.91 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.165 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 44.2 ttm-85 -66.5 -50.63 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.275 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.11 -41.62 36.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.634 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.73 -56.9 11.08 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.834 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 ptm -64.08 -27.54 69.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.696 0.284 . . . . 0.0 111.054 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 22.8 mt-10 -81.31 -47.35 13.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.143 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 13.4 pt-20 -89.63 -9.08 50.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.217 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.0 m -136.8 110.08 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.615 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.59 108.77 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.724 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.62 118.4 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.186 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.565 HD21 ' NH2' ' A' ' 97' ' ' ARG . 10.8 mp -92.17 -62.61 1.37 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -154.53 149.57 26.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.84 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -110.66 141.75 43.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.1 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -132.82 98.87 4.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.39 127.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.86 -56.06 3.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.48 171.36 36.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.12 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.4 p -150.23 151.08 32.45 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.9 m -140.56 119.52 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.647 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -110.42 115.33 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.97 50.59 0.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.15 -114.28 4.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 p -80.8 -23.05 39.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 1.5 mmp_? -93.03 133.07 36.54 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.57 5.93 Favored Glycine 0 CA--C 1.509 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.674 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.413 ' CG2' ' HG2' ' A' ' 109' ' ' ARG . 24.6 m -129.25 148.32 51.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.98 136.01 50.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.247 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' NH1' ' A' ' 109' ' ' ARG . 36.0 tt0 -107.43 132.27 53.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.473 ' CZ ' ' HE1' ' A' ' 32' ' ' MET . 48.3 p90 -148.73 177.07 9.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 111.484 -173.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 107' ' ' HIS . 60.8 mt -133.67 110.78 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.344 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.03 112.03 23.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.94 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -94.46 113.38 25.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.364 . . . . 0.0 110.14 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -134.08 170.66 15.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.925 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.565 ' NH2' HD21 ' A' ' 74' ' ' LEU . 45.2 ttm105 -114.89 110.92 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.416 -174.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo . . . . . 0 C--O 1.236 0.402 0 CA-C-O 121.216 0.423 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 56.6 mt-10 -87.65 144.47 26.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.7 173.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -137.41 145.45 43.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.2 p -109.58 111.39 22.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.837 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 19.7 t-160 -83.11 103.78 12.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' HB2' HG12 ' A' ' 93' ' ' ILE . 17.6 t-160 -103.82 104.35 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -136.12 -176.18 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 91' ' ' GLU . 56.3 ttt85 -136.15 101.86 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.419 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 25.1 m -92.99 134.03 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -173.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -96.64 143.59 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.525 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 86.7 m-85 -129.29 153.58 47.68 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.668 -176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.515 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 59.7 ttt180 -121.3 126.81 50.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.126 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -83.65 105.64 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.55 115.84 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.31 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 56.49 44.38 24.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.348 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.37 -20.11 28.3 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -107.93 133.66 51.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.573 0.225 . . . . 0.0 110.419 -171.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -81.39 133.42 35.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -132.33 151.86 51.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -68.54 130.28 42.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.03 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -101.31 -56.58 2.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.107 0.48 . . . . 0.0 110.48 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.17 171.68 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.934 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -150.16 126.95 2.28 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -127.4 148.44 50.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.935 176.693 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.834 -0.062 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 4.1 m -56.4 88.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.909 0.861 . . . . 0.0 109.811 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 69.6 m -172.36 167.06 5.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.942 -175.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.37 40.67 1.99 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.4 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -154.18 123.15 6.35 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -174.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.23 -9.44 54.41 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.296 0.372 . . . . 0.0 113.211 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 13' ' ' ASP . 42.4 mtpt -52.45 158.13 1.31 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.012 0.434 . . . . 0.0 111.267 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 25.3 p -72.1 -172.16 0.84 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.03 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.01 -58.15 6.85 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.52 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 26.7 t70 -68.0 -48.47 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.116 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -55.6 -23.45 27.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 111.497 -179.533 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 8.6 t -112.11 -83.26 0.59 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 67.0 m -75.02 -21.51 59.05 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -174.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.14 -55.23 16.26 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 114.475 0.55 . . . . 0.0 114.475 -169.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -61.5 -32.03 88.07 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.243 1.962 . . . . 0.0 112.492 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 HD21 ' HG2' ' A' ' 17' ' ' PRO . 2.9 mm? -75.53 -47.06 28.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.51 -23.24 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.75 -7.57 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.093 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 60.79 15.81 6.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -86.72 3.39 45.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.562 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 25.2 ttm180 -162.43 134.82 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.058 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 p -84.27 134.19 34.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.21 92.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.83 -0.52 0.98 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.408 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -141.91 134.14 13.69 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.19 -39.11 61.25 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.477 2.118 . . . . 0.0 111.966 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 10.8 pt-20 -66.86 -45.65 77.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.179 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.22 68.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.48 -44.73 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.284 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.498 ' HE1' HG21 ' A' ' 78' ' ' VAL . 23.2 ptt? -65.83 -37.31 85.88 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -22.89 56.67 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.096 -0.641 . . . . 0.0 110.167 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 22.4 m -71.73 -40.18 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.77 -46.8 88.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.115 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -54.14 -47.56 71.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.639 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -61.37 -36.41 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.016 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.17 67.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.2 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.09 -47.06 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 177.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 4' ' ' VAL . . . -72.45 -13.04 61.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.44 19.66 20.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HB3' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER 44.52 29.59 0.42 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.469 1.107 . . . . 0.0 113.164 179.465 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -106.07 59.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 32.5 p90 -60.75 -11.29 7.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.275 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -43.44 78.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.23 -32.25 69.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.748 0.309 . . . . 0.0 110.223 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.508 HG13 ' CE1' ' A' ' 39' ' ' TYR . 33.7 mm -55.58 -51.81 54.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.82 175.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.89 -39.33 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.33 -28.15 69.1 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.654 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -98.07 13.35 31.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -88.19 152.23 22.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.31 136.21 23.19 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.09 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.65 -24.22 17.05 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.831 2.354 . . . . 0.0 112.407 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -89.71 -45.38 9.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 122' ' ' SER . 26.1 mmt180 -70.02 -22.98 63.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.437 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -62.82 -25.0 68.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.14 -16.34 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.07 6.21 46.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.274 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.42 126.16 52.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.983 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 63' ' ' VAL . 21.2 m-20 -119.62 135.04 54.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.644 174.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.502 ' HB3' ' HE1' ' A' ' 44' ' ' PHE . 48.9 m80 -55.46 -37.02 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.69 -40.81 98.3 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 60' ' ' ASP . 60.9 t -68.25 -45.95 81.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.132 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.17 -35.74 77.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.279 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.648 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.7 ttp180 -61.43 -56.32 21.49 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.18 62.02 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.225 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.91 -52.88 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.762 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 16.9 ptm -71.0 -28.65 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.227 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.648 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.7 mt-10 -65.23 -37.62 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 110.854 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -96.5 4.73 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -134.98 104.13 5.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.694 0.283 . . . . 0.0 111.612 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 97' ' ' ARG . 13.7 m-20 -76.83 98.23 4.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.97 114.6 5.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 110.409 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.53 ' HB2' ' HD2' ' A' ' 95' ' ' ARG . 88.6 mt -101.96 -49.03 4.06 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.873 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' HB3' ' HE ' ' A' ' 95' ' ' ARG . 7.6 tp10 -153.4 153.6 32.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.9 134.24 54.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.523 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 41.2 ttm180 -127.19 99.79 5.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.174 0.511 . . . . 0.0 109.677 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG21 ' HE1' ' A' ' 32' ' ' MET . 63.5 t -77.02 139.26 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.543 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.64 -67.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.542 0.21 . . . . 0.0 110.853 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.84 165.3 27.68 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.237 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.8 p -151.71 152.79 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.011 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -152.29 119.93 6.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.409 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.74 115.32 28.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -108.85 53.93 0.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.354 0.597 . . . . 0.0 109.587 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.57 -114.39 3.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.102 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 p -92.93 1.56 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.184 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.0 tmm_? -132.53 133.49 43.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -140.83 173.58 23.1 Favored Glycine 0 CA--C 1.508 -0.348 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.756 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.5 m -146.41 140.03 26.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.6 p -140.66 135.56 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -110.81 132.46 54.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.725 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.97 176.86 11.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 95.1 mt -129.22 119.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.583 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.3 111.73 23.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.53 ' HD2' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -97.59 109.98 22.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 110.322 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -129.54 162.3 28.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.7 ttm-85 -97.32 119.89 36.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.628 -175.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 C--O 1.235 0.356 0 CA-C-O 120.75 0.229 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 53.1 mt-10 -78.94 167.81 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -158.9 142.57 15.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -126.45 113.66 17.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -91.85 104.45 16.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.097 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -84.91 100.84 11.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.1 170.43 11.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 111.278 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -131.48 102.63 6.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.447 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -101.65 135.13 43.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 110.806 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.34 138.22 35.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.836 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -122.76 150.29 42.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -110.92 126.73 55.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.109 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 76.0 tttt -91.42 110.84 22.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.2 118.19 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.205 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER 55.67 33.58 21.57 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.566 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -17.22 58.71 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.444 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.47 145.03 26.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.415 0.608 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 85.8 m95 -96.68 134.65 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.334 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -122.32 140.4 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.013 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.83 116.01 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.244 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.6 m -90.63 -54.48 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.345 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.49 162.91 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.33 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -143.22 162.1 36.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.417 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.182 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 3.0 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.512 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.4 m -58.63 81.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.074 0.94 . . . . 0.0 110.267 173.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.872 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 73.8 m -163.74 149.78 11.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 72.09 0.89 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.609 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.1 p -164.9 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.13 -20.28 21.71 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.965 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 26.3 mtmt -59.6 161.01 6.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.605 0.203 . . . . 0.0 110.949 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.5 p -63.73 179.03 0.53 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.908 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -55.68 -58.58 7.23 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.508 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.49 -52.97 26.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -29.6 58.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.238 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 4.3 t -98.84 -80.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.822 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 53.7 m -74.47 -21.65 59.48 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.79 -55.19 18.81 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 -170.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.8 Cg_endo -68.83 -30.84 26.27 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.086 1.857 . . . . 0.0 112.591 -176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' ' 17' ' ' PRO . 3.4 mm? -71.56 -51.88 21.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.75 -27.83 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.985 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -4.93 59.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' NH2' ' HG3' ' A' ' 49' ' ' GLU . 11.1 mpt_? 63.14 2.36 1.06 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.995 0.518 . . . . 0.0 112.287 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.7 t -70.5 -16.14 62.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.96 0.41 . . . . 0.0 110.744 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 59.6 ttt180 -153.21 131.16 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.308 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 p -89.23 144.73 25.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.6 70.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.069 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.52 14.39 3.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.781 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 48.1 t -149.41 137.67 11.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.7 -47.81 12.53 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.542 2.161 . . . . 0.0 111.914 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.6 pt-20 -64.51 -44.24 91.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.529 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -63.89 -39.46 94.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.72 -38.87 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.834 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.542 ' HE2' HD23 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -63.66 -51.57 64.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.679 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -21.49 60.34 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.269 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -76.85 -37.06 56.31 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 35' ' ' ARG . 25.9 ttt180 -67.55 -42.92 81.86 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.108 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -52.14 -40.64 61.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.228 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -64.5 -31.8 73.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.388 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -61.32 -37.52 83.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.448 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 1.4 m-85 -65.57 -42.03 92.22 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.409 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.75 -26.62 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 98.6 mt -94.68 17.69 12.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.161 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.633 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.3 OUTLIER 53.41 10.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.743 1.217 . . . . 0.0 113.267 177.058 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -95.55 87.69 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.422 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 48' ' ' VAL . 46.2 p90 -72.15 -10.56 59.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.31 -56.81 17.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.46 -31.47 70.47 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 38' ' ' ALA . 50.1 mm -57.92 -50.83 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' PHE . 47.4 t -60.9 -43.98 96.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.2 mm-40 -52.9 -41.8 64.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.035 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -94.37 22.47 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -101.06 146.94 26.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.843 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.533 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 15.2 t70 -48.34 140.13 9.99 Favored Pre-proline 0 C--O 1.223 -0.296 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.204 175.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.3 -37.6 94.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.397 2.064 . . . . 0.0 112.028 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.27 -38.71 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.611 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.4 mmt180 -75.99 -29.93 58.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 110.281 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 56' ' ' ARG . 37.6 ttp180 -68.13 -25.19 65.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.692 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.49 -23.45 65.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.492 174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -96.51 -29.2 14.02 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.178 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.85 135.61 56.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 111.791 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.02 147.17 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.799 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -59.74 -48.56 81.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.141 -173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.67 -39.46 73.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.843 -176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.61 -46.69 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.518 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.38 -38.03 76.45 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.082 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.2 ttt180 -68.21 -45.06 74.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.935 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.3 -38.21 26.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.057 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.576 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 20.7 t-105 -59.51 -51.68 68.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.633 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.1 ptt? -71.23 -20.08 62.3 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.738 0.304 . . . . 0.0 111.388 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mm-40 -76.93 -27.06 54.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.768 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -105.98 -19.77 13.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.6 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -105.81 101.38 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.758 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.5 t70 -81.12 93.37 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -61.33 127.37 31.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.082 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.41 -49.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.005 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 34.8 tt0 -148.44 152.17 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 -172.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD23 ' HE2' ' A' ' 32' ' ' MET . 3.1 tm? -128.14 125.94 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -128.08 99.36 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.227 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.01 128.58 38.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.118 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.505 HD12 ' HG2' ' A' ' 91' ' ' GLU . 85.4 mt -95.09 -59.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.45 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.97 160.44 28.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.001 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.5 p -138.07 149.46 46.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.715 0.293 . . . . 0.0 110.53 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.527 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 20.9 m -149.5 118.91 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -110.93 114.5 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 74.0 mmtt -115.15 90.25 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.221 -176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.02 -92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.37 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -122.59 -4.48 8.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -105.21 132.41 51.45 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.82 159.9 19.44 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.063 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 110' ' ' SER . 87.8 m -157.07 127.84 6.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.95 129.42 60.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.161 0.505 . . . . 0.0 110.035 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' HG2' HD12 ' A' ' 79' ' ' LEU . 40.3 tt0 -100.28 134.39 43.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.774 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.82 171.68 19.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.501 HG12 ' HB2' ' A' ' 107' ' ' HIS . 71.8 mt -125.74 114.11 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.131 175.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.11 115.79 28.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.042 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.3 ttm-85 -94.82 122.78 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.8 161.83 37.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.217 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.533 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 69.4 ttt180 -89.84 111.71 22.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 -170.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.774 0.239 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.99 158.61 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -154.81 144.14 21.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.412 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 11.8 p -120.44 111.85 18.24 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -89.84 104.33 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.512 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.501 ' HB2' HG12 ' A' ' 93' ' ' ILE . 7.1 t-160 -90.7 109.51 20.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.7 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.92 173.7 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.256 0.551 . . . . 0.0 111.018 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -131.01 103.04 6.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 89' ' ' THR . 22.9 t -93.09 135.14 34.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.663 -170.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -96.92 138.79 33.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.12 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.91 146.43 50.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.144 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -104.3 126.68 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.941 0.497 . . . . 0.0 109.81 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 63.3 tttt -91.86 110.98 22.34 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.25 135.79 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.545 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 63.21 19.74 11.85 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.78 -15.59 62.27 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.912 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -100.14 156.87 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.648 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.497 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 79.0 m95 -97.81 140.85 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.374 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.1 139.75 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.183 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -69.83 113.17 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.887 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.6 m -89.06 -45.94 9.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.168 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -177.98 147.58 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.697 0.284 . . . . 0.0 110.678 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.85 143.74 15.32 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -143.16 144.14 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.08 0.467 . . . . 0.0 110.553 -179.535 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 4.4 t . . . . . 0 C--O 1.231 0.121 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.4 m -68.0 78.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-O 122.208 1.004 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.739 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 71.7 m -161.79 169.64 21.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.941 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.71 48.9 2.7 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 168.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -163.53 103.54 0.94 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.07 -2.17 6.36 Favored Glycine 0 CA--C 1.521 0.427 0 O-C-N 123.305 0.378 . . . . 0.0 113.682 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.0 mtmt -61.96 165.13 5.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 0.0 111.212 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.3 p -68.55 -176.85 0.84 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.307 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.23 -56.33 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 173.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.509 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 6.9 p-10 -67.53 -49.76 61.85 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.257 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.18 -21.45 59.45 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.747 0.308 . . . . 0.0 111.494 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' THR . 3.5 t -111.21 -81.36 0.58 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.73 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -73.82 -21.5 60.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.68 -55.17 18.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 114.485 0.554 . . . . 0.0 114.485 -169.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 31.0 Cg_endo -65.24 -29.06 55.48 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.329 2.02 . . . . 0.0 112.494 -178.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.513 HD21 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.28 -51.45 13.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.06 -22.33 60.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.084 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.01 -11.04 60.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.457 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 64.55 10.23 5.69 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.303 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -89.18 -33.56 16.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.238 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 69.8 ttt180 -121.74 142.84 49.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.079 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -86.88 141.77 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . . . -54.74 -33.84 61.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.006 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.65 11.61 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.254 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 137.87 0.87 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.689 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.06 -49.56 7.85 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.815 2.343 . . . . 0.0 111.893 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.9 pt-20 -59.61 -39.95 85.9 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.192 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -60.82 -40.8 94.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.619 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD11 ' HB ' ' A' ' 50' ' ' THR . 1.6 tm? -66.94 -42.61 84.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.228 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.99 -51.75 59.96 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.4 -22.7 61.83 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.765 -173.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 m -76.47 -39.7 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.76 -43.95 94.07 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.139 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.07 -45.52 92.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.664 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.739 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -60.47 -39.26 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.629 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -62.66 -35.91 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -61.77 -41.6 97.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 110.201 174.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.51 62.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 88.6 mt -97.06 17.3 17.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.154 176.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.04 19.06 0.25 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.537 1.135 . . . . 0.0 113.282 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -93.36 80.94 4.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.401 0.619 . . . . 0.0 109.911 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.455 ' HE2' ' HB3' ' A' ' 61' ' ' HIS . 46.1 p90 -72.68 -26.11 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.331 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.96 -38.06 82.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.785 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.452 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 66.3 t80 -60.71 -36.3 78.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.128 0.49 . . . . 0.0 110.327 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' HB2' ' A' ' 38' ' ' ALA . 35.8 mm -58.86 -51.95 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.69 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.5 t -53.96 -39.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.733 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.24 -38.29 90.58 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.797 0.332 . . . . 0.0 111.297 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.4 ' HB ' HD11 ' A' ' 31' ' ' LEU . 9.1 p -91.81 18.37 7.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.212 0.529 . . . . 0.0 111.379 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -97.86 150.9 20.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.33 132.11 13.03 Favored Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.03 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.93 -28.43 23.89 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.868 2.379 . . . . 0.0 112.325 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.66 -38.48 39.33 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 110.593 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 122' ' ' SER . 53.7 mmm-85 -81.84 -26.82 33.94 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -61.76 -35.38 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.862 -173.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.08 -24.74 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.752 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.31 -13.7 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.261 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.53 93.18 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -73.67 114.64 12.17 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.731 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 66.9 m80 -53.93 -38.83 65.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.721 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.47 -55.0 36.9 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.785 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.25 -41.36 91.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -36.83 71.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.949 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 32.4 ttp180 -78.11 -51.62 9.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.223 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.62 60.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.568 -172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -70.72 -41.29 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.091 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.9 ptt? -71.95 -22.92 61.39 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.077 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 42.1 mt-10 -64.73 -48.27 75.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.567 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.09 -15.97 59.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.026 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 m -112.62 92.67 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 111.144 -174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.34 111.53 7.62 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.5 m-85 -77.4 122.12 24.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.461 0.172 . . . . 0.0 110.873 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.44 -56.99 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 33.0 tt0 -126.0 125.3 42.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -100.75 122.63 43.7 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 168.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.538 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 21.7 ttm180 -118.18 97.43 5.79 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -82.06 109.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.754 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 mt -73.66 -44.91 55.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.352 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.78 167.42 36.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.22 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.432 ' HG ' HG21 ' A' ' 90' ' ' VAL . 45.3 m -151.4 113.32 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 m -119.72 118.85 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.59 114.52 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -110.05 83.78 1.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.64 -119.78 13.22 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.097 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 m -92.28 -0.37 57.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.8 tmm_? -116.37 131.86 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.484 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -127.12 141.94 13.07 Favored Glycine 0 CA--C 1.506 -0.497 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.104 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 m -126.41 128.17 46.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG21 ' HG ' ' A' ' 81' ' ' SER . 2.4 p -129.89 117.61 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.299 0.571 . . . . 0.0 110.303 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -94.84 125.54 39.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.456 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.88 176.25 9.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.534 . . . . 0.0 111.508 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 88.5 mt -133.63 117.82 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.196 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.98 108.88 20.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.553 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 41.5 ttm180 -96.01 123.17 39.5 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -141.89 145.34 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.788 -177.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -90.2 107.7 19.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 98' ' ' ARG . 1.2 ptm180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -168.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo . . . . . 0 C--O 1.237 0.44 0 N-CA-C 113.79 0.65 . . . . 0.0 113.79 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.23 123.2 31.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.523 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.74 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.1 p -122.91 112.41 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 110.637 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -94.82 125.19 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.405 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -114.68 102.46 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.505 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -122.56 169.48 10.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 110.986 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -127.92 101.36 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.1 m -94.2 132.95 38.22 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.349 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -98.87 137.55 37.28 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.977 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.46 138.38 53.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.801 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -103.85 131.08 51.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -89.52 107.06 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.955 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.93 132.92 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 61.19 21.37 11.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.589 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.94 57.85 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.484 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -93.36 152.31 19.22 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -99.64 131.03 45.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.16 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.74 142.51 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.628 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -68.46 116.22 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.0 m -93.54 -55.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -153.83 149.86 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.507 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -137.22 86.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.649 -0.581 . . . . 0.0 111.649 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.06 139.07 30.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.537 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.677 0.275 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.65 49.38 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.671 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -174.18 159.01 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 78.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 O-C-N 123.395 0.435 . . . . 0.0 113.302 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 m -161.67 119.05 2.21 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.81 50.47 2.97 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.481 -0.39 . . . . 0.0 113.026 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 29.5 mtmt -140.49 173.64 11.3 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 81.9 p -69.67 -176.99 1.13 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.848 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.58 -58.74 4.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.9 -40.42 96.46 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.85 -44.02 91.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.958 0.409 . . . . 0.0 110.684 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 10' ' ' THR . 8.5 t -87.43 -82.97 0.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 58.8 m -73.75 -20.12 60.59 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.44 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.98 -54.55 22.22 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.386 -0.674 . . . . 0.0 114.214 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.471 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -62.47 -30.69 80.3 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.479 2.119 . . . . 0.0 112.606 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.6 -51.26 24.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 110.14 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.81 -21.14 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' A' ' 22' ' ' THR . . . -79.86 -3.25 47.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.838 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 59.77 16.37 5.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.819 0.448 . . . . 0.0 111.454 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' HB3' ' A' ' 20' ' ' ALA . 9.8 t -93.23 -27.77 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.579 0.228 . . . . 0.0 111.417 -176.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 61.8 ttt180 -129.42 134.4 47.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.366 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 p -88.85 133.56 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.179 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.81 80.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.78 13.56 2.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.298 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 t -148.09 137.29 11.97 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.59 -49.96 13.23 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.809 2.339 . . . . 0.0 112.204 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 5.6 pt-20 -64.53 -43.23 94.67 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.977 0.417 . . . . 0.0 110.422 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.536 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -61.12 -37.23 82.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.781 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 3.2 tm? -75.58 -43.1 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.576 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.689 ' HE2' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -72.86 -35.19 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.075 -176.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -75.34 -27.12 59.09 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -177.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.451 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 20.9 p -77.31 -34.99 55.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' HG2' HD13 ' A' ' 47' ' ' ILE . 19.2 ttt180 -63.63 -43.82 95.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.249 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.88 -45.77 74.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.09 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.489 ' HB2' HD11 ' A' ' 47' ' ' ILE . . . -63.48 -36.95 85.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.85 -47.46 85.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -19.08 64.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.56 19.46 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.664 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 48.26 21.35 0.34 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.744 1.217 . . . . 0.0 112.965 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.67 58.57 5.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 109.955 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 40.4 p90 -65.13 -19.62 66.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.575 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 30.5 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.16 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -56.22 -32.86 64.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' HG2' ' A' ' 35' ' ' ARG . 31.7 mm -63.78 -52.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 60.7 t -56.21 -39.79 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.526 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 39.3 mt-10 -64.07 -40.11 95.54 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.883 177.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 p -85.09 12.82 7.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.36 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 52' ' ' ASP . 23.5 m -95.31 150.51 20.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 113' ' ' ARG . 14.9 t70 -56.58 136.83 77.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.73 -38.16 55.75 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.764 2.309 . . . . 0.0 112.341 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.31 -37.79 63.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.548 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.6 -23.53 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.7 ttp180 -68.2 -27.56 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.043 174.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.55 -5.92 19.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.271 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.7 t80 -95.87 87.76 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.196 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.0 131.67 43.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.674 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' HG22 ' A' ' 48' ' ' VAL . 79.2 m80 -58.63 -38.47 78.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.84 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.33 -51.03 65.99 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.3 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.66 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.587 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 37.5 m-80 -61.16 -43.54 98.72 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HA ' ' HE2' ' A' ' 68' ' ' MET . 18.3 ttp180 -65.75 -53.51 39.62 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -54.77 -39.91 68.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.377 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -61.13 -53.05 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.58 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -67.14 -22.97 65.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.695 -178.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 22.1 mm-40 -74.76 -37.27 62.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.4 pt-20 -94.66 -1.78 52.5 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.693 0.283 . . . . 0.0 111.366 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -138.71 99.68 3.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.801 0.334 . . . . 0.0 110.181 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 35.6 t70 -80.31 98.72 7.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.262 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 97.0 m-85 -60.83 137.29 58.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.062 0.458 . . . . 0.0 111.604 -175.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 97' ' ' ARG . 85.9 mt -122.36 -51.05 1.98 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.477 -172.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.33 149.13 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.059 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 tp -114.44 145.51 41.78 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 77' ' ' ARG . 30.1 ttt85 -138.62 99.47 3.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 32' ' ' MET . 38.9 t -77.94 136.68 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.246 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 91' ' ' GLU . 75.6 mt -109.51 -58.89 1.98 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 110.968 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.79 166.99 28.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.057 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.6 p -162.59 143.65 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.747 0.274 . . . . 0.0 111.048 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -148.95 135.89 19.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.235 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 38.1 tt0 -116.64 115.32 25.47 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -109.75 50.75 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.228 0.537 . . . . 0.0 109.702 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.96 -104.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.483 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 14.6 m -85.97 -14.16 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -177.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -117.11 134.01 55.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.36 154.51 25.13 Favored Glycine 0 CA--C 1.509 -0.29 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.322 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -139.54 138.54 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' A' ' 32' ' ' MET . 5.1 p -143.34 134.81 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HB2' ' HG3' ' A' ' 109' ' ' ARG . 39.9 tt0 -110.74 136.04 50.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.396 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -156.77 171.75 19.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.0 111.049 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.504 HG12 ' HB2' ' A' ' 107' ' ' HIS . 81.0 mt -126.29 122.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.247 175.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.15 118.38 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -94.13 122.0 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.5 p90 -139.25 155.8 47.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.131 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.487 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 12.4 ttp85 -88.94 110.69 21.32 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.633 -172.097 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.237 0.432 0 N-CA-C 113.111 0.389 . . . . 0.0 113.111 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.21 108.95 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -98.75 140.54 32.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.553 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 p -115.01 114.2 25.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.9 107.11 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.877 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.504 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.5 t-160 -103.17 120.04 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.47 176.25 10.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.116 0.484 . . . . 0.0 110.33 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.521 ' HG3' ' HB2' ' A' ' 91' ' ' GLU . 33.6 ttm180 -128.56 101.79 6.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.7 m -92.31 135.61 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.428 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 23.1 mp0 -101.31 140.5 35.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -125.67 164.98 19.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.97 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 52' ' ' ASP . 24.0 ttp180 -129.06 132.16 47.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.986 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 66.7 tttt -94.61 106.46 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.764 -173.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -117.53 123.66 46.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.11 23.19 8.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.338 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.33 67.68 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.073 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -91.18 137.16 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.454 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 83.4 m95 -91.04 128.16 36.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.838 0.352 . . . . 0.0 110.596 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 115' ' ' ALA . 86.7 m-85 -119.52 134.81 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.65 120.7 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.971 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 m -100.81 -46.13 5.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.428 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.9 pt-20 -165.93 170.32 13.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.28 31.08 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.3 138.14 9.79 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.964 0.382 . . . . 0.0 111.22 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 173.002 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.8 m -68.62 76.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.937 0.875 . . . . 0.0 110.263 172.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.822 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 57.7 m -166.33 139.43 3.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.706 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.88 87.22 0.02 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 p -169.19 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 0.0 110.174 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.26 -22.38 35.18 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.986 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.1 mtmt -68.38 162.38 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.481 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 32.2 p -69.57 179.15 2.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.88 -50.8 72.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.15 -56.57 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.31 -26.61 66.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.9 t -100.93 -80.66 0.49 Allowed 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 63.4 m -74.15 -21.31 59.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.35 -55.88 14.79 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.523 -0.598 . . . . 0.0 114.421 -170.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.5 Cg_endo -65.95 -30.03 48.78 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.19 1.927 . . . . 0.0 112.693 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.12 -51.5 13.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.788 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.13 -25.96 65.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -10.59 59.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 49' ' ' GLU . 6.2 mmt85 65.11 6.82 3.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.679 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -80.38 -23.1 40.7 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.253 -174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -142.24 134.11 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.732 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 m -84.98 140.1 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.108 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.85 78.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.88 9.67 3.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.148 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.9 m -148.88 136.31 10.96 Favored Pre-proline 0 C--O 1.235 0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.18 -45.11 40.48 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.635 2.224 . . . . 0.0 111.965 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.31 -42.5 96.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.47 -18.98 63.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -90.22 -47.66 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.55 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 4.4 ppp? -61.32 -42.6 98.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.14 -172.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.61 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.5 -22.97 62.59 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.377 -178.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 m -76.02 -41.88 49.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HD2' HD12 ' A' ' 31' ' ' LEU . 40.9 mtp180 -66.45 -38.71 87.97 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.032 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 73' ' ' PHE . 76.3 t80 -52.91 -47.48 67.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.393 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.822 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -63.21 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.905 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.98 88.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.546 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CE1' HG13 ' A' ' 47' ' ' ILE . 3.5 m-85 -65.18 -47.42 77.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.885 0.374 . . . . 0.0 110.498 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.35 -28.54 70.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.3 mt -98.76 17.62 18.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.614 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.93 25.07 0.09 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.589 1.156 . . . . 0.0 113.247 -179.373 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -96.89 64.47 2.03 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 29.9 p90 -67.26 -10.82 54.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.718 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.43 -50.53 71.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.433 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.12 -32.71 74.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 HG22 ' NH2' ' A' ' 35' ' ' ARG . 27.1 mm -55.35 -52.22 48.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.661 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.436 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 39.2 t -56.88 -42.76 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.62 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CD ' HH21 ' A' ' 21' ' ' ARG . 36.3 mt-10 -60.15 -42.6 95.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -91.7 21.3 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.171 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -97.65 150.74 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.66 135.05 45.2 Favored Pre-proline 0 N--CA 1.463 0.199 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.804 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.76 -35.02 67.52 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.581 2.187 . . . . 0.0 112.152 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.99 -33.62 65.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.4 mmm180 -85.26 -32.0 22.8 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.86 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.526 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 43.8 ttp180 -66.58 -20.57 66.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.941 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.81 -31.24 70.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.654 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 58' ' ' LEU . 4.2 mp -90.77 -32.7 16.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.8 m-85 -56.7 124.73 19.4 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -174.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' HB2' HG21 ' A' ' 63' ' ' VAL . 6.4 m-20 -111.16 140.19 45.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 167.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -61.37 -37.88 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.658 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.51 -37.72 88.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.701 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 60' ' ' ASP . 44.3 t -71.01 -37.1 66.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.065 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.07 -37.98 87.09 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -64.43 -46.54 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.956 174.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -52.63 -46.91 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.392 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 15.2 m0 -56.47 -52.83 63.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.425 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.614 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 10.6 ptm -66.26 -21.64 66.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.348 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -78.4 -44.0 26.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -91.03 -6.08 54.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 111.09 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -131.63 91.22 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.962 171.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.11 89.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.986 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 97.8 m-85 -58.8 114.53 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.875 0.369 . . . . 0.0 111.627 -175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.7 -61.45 1.39 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.335 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -127.5 141.71 51.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.831 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.474 HD23 ' HE1' ' A' ' 32' ' ' MET . 53.7 tp -110.38 131.91 54.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.641 ' NH2' HH22 ' A' ' 95' ' ' ARG . 26.4 ttm180 -125.5 98.19 5.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.78 130.15 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.992 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 mt -105.09 -56.5 2.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.948 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.93 164.83 31.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.167 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -159.27 152.27 22.07 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.716 0.293 . . . . 0.0 110.975 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -149.08 135.47 19.34 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.21 115.07 29.59 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -107.97 53.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 0.0 109.547 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.79 -107.79 3.33 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.991 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.558 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 71.2 m -101.68 9.17 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.784 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.511 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -138.3 133.35 32.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.404 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.82 179.56 24.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.773 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.7 m -152.39 149.96 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.423 0.289 . . . . 0.0 110.262 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.434 HG13 ' HG2' ' A' ' 32' ' ' MET . 2.4 p -146.04 124.1 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 109.982 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.45 137.47 34.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.654 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -155.08 -178.22 7.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 77.9 mt -129.52 110.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.301 174.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.69 109.17 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.873 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.641 HH22 ' NH2' ' A' ' 77' ' ' ARG . 39.0 ttm180 -97.46 138.18 35.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.48 151.45 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.216 0.531 . . . . 0.0 111.364 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -93.01 130.16 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.664 -176.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 121.116 0.381 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -98.82 138.79 35.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.935 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -128.92 137.53 51.47 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 32.3 m -114.98 130.67 56.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.094 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -113.64 127.69 56.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -105.42 101.18 10.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.74 170.81 8.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.68 0.752 . . . . 0.0 111.419 -176.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -137.25 101.49 4.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -99.96 137.7 38.05 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.062 0.458 . . . . 0.0 111.558 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.511 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 2.0 mp0 -97.63 139.66 33.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.694 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -124.94 150.35 46.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.693 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -111.48 148.15 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 77.9 tttt -113.4 129.01 56.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.759 0.314 . . . . 0.0 110.584 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -142.16 125.82 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.192 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 4.0 mpt_? 56.34 26.52 10.71 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.4 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 93.01 -20.01 48.52 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.257 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 143.39 27.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.084 0.442 . . . . 0.0 109.896 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -97.83 141.81 30.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -130.58 141.93 50.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.526 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -71.95 118.12 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.984 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.7 m -93.8 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -143.24 139.29 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.678 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.21 106.92 0.78 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.11 167.75 13.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.447 0.299 . . . . 0.0 110.205 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.41 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 177.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 6.4 t . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.604 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 6.8 m -57.91 87.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.788 0.804 . . . . 0.0 109.786 172.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 97.5 m -171.64 164.0 6.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.406 -173.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.75 59.21 2.99 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 p 179.4 117.24 0.05 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.669 0.788 . . . . 0.0 109.214 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.08 10.84 8.93 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.893 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -70.49 166.32 20.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.081 0.44 . . . . 0.0 110.027 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 57.6 p -73.16 175.97 6.29 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.007 0.432 . . . . 0.0 111.436 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.03 -58.13 9.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.53 -41.68 98.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.15 -47.19 80.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.512 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.9 OUTLIER -84.8 -74.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.937 -177.02 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 55.9 m -74.14 -24.06 59.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.63 -55.27 14.24 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.558 -0.579 . . . . 0.0 114.466 -169.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.1 Cg_endo -63.83 -30.19 68.19 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.279 1.986 . . . . 0.0 112.565 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.5 mm? -75.59 -49.58 18.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.99 -25.49 64.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.01 -7.14 47.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.331 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 61.57 14.02 5.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.178 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -105.34 -6.41 19.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.575 -172.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -130.44 135.19 47.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -90.1 122.62 33.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.567 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.26 68.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.666 0.269 . . . . 0.0 111.249 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.02 7.32 2.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.503 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -150.62 136.35 10.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.1 -42.05 61.4 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.523 2.149 . . . . 0.0 112.22 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -71.87 -30.7 65.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -178.42 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -73.07 -36.32 66.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 110.668 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -75.64 -38.63 58.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.593 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.616 ' HE1' HD23 ' A' ' 76' ' ' LEU . 20.4 ptm -64.18 -50.18 69.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' N ' ' HG3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.86 -24.29 58.55 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.007 -172.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 p -72.17 -47.47 50.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -69.23 -32.36 71.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 178.39 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -51.54 -43.9 62.5 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.97 0.414 . . . . 0.0 110.657 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.846 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -62.11 -37.43 85.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.561 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.413 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 2.1 m-85 -62.65 -41.99 99.36 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.214 175.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.38 69.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -91.01 15.12 12.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.43 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 45.58 23.41 0.14 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.459 1.103 . . . . 0.0 112.591 -178.078 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.95 85.67 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.58 . . . . 0.0 109.966 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.4 p90 -71.77 -13.61 61.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.548 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.43 -55.2 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.407 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -64.28 -32.77 74.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.977 0.418 . . . . 0.0 110.692 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 HD11 ' O ' ' A' ' 35' ' ' ARG . 51.6 mm -62.23 -53.08 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 44' ' ' PHE . 40.7 t -55.1 -41.96 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.86 -177.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.06 -31.47 71.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 p -91.59 19.39 6.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.282 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.271 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.494 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 12.2 t70 -50.08 135.56 22.02 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.171 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.72 -33.97 72.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.706 2.27 . . . . 0.0 112.127 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -78.55 -33.97 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 43.8 mmt-85 -80.19 -25.89 39.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.225 0.536 . . . . 0.0 110.141 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.42 -27.23 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.46 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.4 -44.28 95.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.196 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.62 -25.87 61.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.345 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.84 102.94 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.376 174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.47 143.45 37.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -54.61 -47.31 73.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -170.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.66 -47.8 83.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 111.097 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.23 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.357 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -58.36 -36.6 73.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 42.7 ttp180 -76.97 -46.21 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.123 178.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.88 -40.57 30.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.369 -174.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -58.21 -54.71 43.87 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.611 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 15.8 ptm -65.05 -30.28 71.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.314 -174.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 33.4 mt-10 -63.53 -29.76 70.98 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.6 10.33 21.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.738 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -135.24 76.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.673 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.58 93.18 0.15 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.356 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.451 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.9 m-85 -58.73 131.34 50.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.048 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.16 -51.12 2.64 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -150.84 148.14 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.613 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.616 HD23 ' HE1' ' A' ' 32' ' ' MET . 47.6 tp -120.11 126.89 51.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.205 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -115.44 98.67 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -82.53 126.79 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.413 HD13 ' HG2' ' A' ' 91' ' ' GLU . 68.5 mt -95.36 -60.18 1.72 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.061 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.14 29.52 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.616 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -137.17 157.48 46.57 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.688 0.28 . . . . 0.0 110.393 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.1 m -150.07 135.05 17.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.174 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.63 114.99 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -105.03 80.79 1.65 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.1 -94.42 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.563 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 m -117.4 3.42 12.52 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -128.61 133.5 48.33 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.57 175.86 18.12 Favored Glycine 0 CA--C 1.505 -0.57 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.76 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -154.39 141.05 18.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.488 HG23 ' SD ' ' A' ' 32' ' ' MET . 7.3 p -134.54 131.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.87 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' HG2' HD13 ' A' ' 79' ' ' LEU . 38.4 tt0 -100.21 138.82 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.415 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CG ' ' HE2' ' A' ' 32' ' ' MET . 26.2 p90 -154.81 179.51 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.21 0.528 . . . . 0.0 111.664 -175.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.408 HG12 ' HB2' ' A' ' 107' ' ' HIS . 68.4 mt -134.29 113.17 16.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.194 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.12 113.98 26.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.375 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -95.62 121.08 36.95 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.451 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.9 p90 -143.77 155.24 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.068 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.5 ttp180 -89.84 107.8 19.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 -174.202 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo . . . . . 0 CA--C 1.533 0.431 0 N-CA-C 113.699 0.615 . . . . 0.0 113.699 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.5 mt-10 -83.11 112.22 19.61 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.758 175.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -100.65 142.61 31.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.001 0.429 . . . . 0.0 110.139 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.0 p -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.5 119.19 34.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.408 ' HB2' HG12 ' A' ' 93' ' ' ILE . 16.7 t-160 -102.23 101.06 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.062 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 -176.17 3.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -136.84 104.46 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 p -92.43 131.47 37.56 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -96.83 135.77 38.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.68 159.16 25.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.391 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -122.96 142.48 50.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.727 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -105.89 113.82 27.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.196 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.14 129.69 34.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.784 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.47 19.27 11.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 109.624 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.56 63.05 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.483 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 3.8 mpt_? -93.85 157.03 16.33 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -104.9 140.14 38.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -131.79 141.95 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.088 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -70.81 117.48 12.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.685 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.4 m -97.92 -52.44 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 111.212 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -159.2 178.26 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.805 -174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -156.4 134.72 4.18 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.62 153.69 43.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 110.245 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.223 179.676 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.33 0.109 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.83 45.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 110.856 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.32 133.13 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.49 85.0 0.01 OUTLIER Glycine 0 C--N 1.336 0.531 0 O-C-N 123.748 0.655 . . . . 0.0 113.732 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.524 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 23.7 m -132.93 -11.62 2.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.563 0.221 . . . . 0.0 111.244 175.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.75 24.54 69.85 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.005 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.4 mmmt -128.07 166.63 18.07 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.863 0.465 . . . . 0.0 110.325 -173.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 70.4 p -75.09 -171.99 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 176.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -75.3 -55.77 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 m-20 -58.01 -45.11 87.39 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.553 -174.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' HB3' ' HE3' ' A' ' 9' ' ' LYS . 7.2 m-20 -70.98 -40.32 71.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 41.0 t -88.02 -93.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.455 -170.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 99.5 m -74.26 -20.29 60.2 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -52.12 -54.8 24.5 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.658 -0.523 . . . . 0.0 114.361 -173.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 29.6 Cg_endo -63.47 -26.7 70.28 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.227 1.951 . . . . 0.0 112.413 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.7 mm? -75.2 -51.11 14.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.218 0.533 . . . . 0.0 109.736 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.37 -26.08 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.31 -12.52 60.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.671 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 63.55 27.76 15.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.033 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -111.42 -25.91 9.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.458 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.8 ttm180 -122.47 136.18 54.83 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.869 0.366 . . . . 0.0 111.182 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 p -87.43 133.55 33.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.268 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.55 76.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.392 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.46 18.56 6.99 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.645 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -159.16 139.0 8.63 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.06 -45.45 27.95 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.629 2.219 . . . . 0.0 112.028 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HB3' ' OG ' ' A' ' 81' ' ' SER . 7.7 pt-20 -67.51 -43.3 81.2 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.557 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.96 65.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.997 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 50' ' ' THR . 2.6 tm? -89.86 -41.87 11.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.627 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.3 tmm? -61.45 -50.38 73.01 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.614 -173.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.455 -176.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.666 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 m -75.98 -43.62 43.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 32' ' ' MET . 34.7 ptt180 -62.65 -37.63 87.12 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.036 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 64.1 t80 -56.38 -43.81 79.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 110.211 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.85 78.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.64 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.5 85.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.774 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' HG13 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.71 -39.4 93.58 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.723 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.35 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 42' ' ' LYS . 97.7 mt -95.62 6.68 48.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.704 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 75.29 -27.38 0.19 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.283 0.633 . . . . 0.0 112.561 177.53 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.41 78.9 0.39 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.158 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -71.87 -9.82 58.88 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.02 0.438 . . . . 0.0 110.528 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.19 -45.47 53.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.685 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.44 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 75.4 t80 -60.41 -34.06 73.4 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 35' ' ' ARG . 38.2 mm -60.59 -48.2 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 109.645 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG11 ' HG3' ' A' ' 56' ' ' ARG . 25.7 t -59.46 -34.85 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.095 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -71.62 -20.27 62.0 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.707 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.492 ' HB ' HD12 ' A' ' 31' ' ' LEU . 21.2 p -113.63 22.68 13.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 111.513 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -118.02 134.77 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.54 139.06 39.77 Favored Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.125 0.266 . . . . 0.0 110.442 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.2 -34.78 40.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.042 2.495 . . . . 0.0 112.351 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.964 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -87.77 -31.47 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.229 0.537 . . . . 0.0 109.933 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HG3' HG11 ' A' ' 48' ' ' VAL . 20.4 ttt180 -60.86 -35.06 75.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.238 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.19 -33.0 74.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.366 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.5 mt -78.75 -19.87 51.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -68.49 110.53 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.15 136.83 37.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.775 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -57.07 -45.18 83.48 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.351 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.48 -51.15 70.7 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.477 0.656 . . . . 0.0 110.315 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.28 -49.19 74.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.125 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.16 -32.13 71.85 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.8 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 41.8 ttt-85 -70.47 -45.79 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.27 -37.92 49.91 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.874 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -55.73 -57.26 12.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.028 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.412 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 26.3 ptt? -67.71 -25.91 65.91 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.73 -177.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 16.2 mm-40 -63.19 -38.58 91.75 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.73 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HB2' ' NH2' ' A' ' 98' ' ' ARG . 12.7 pt-20 -113.99 18.91 16.93 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.676 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -145.1 101.76 3.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.811 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.26 107.75 17.44 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.3 m-85 -65.1 124.21 21.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.237 -175.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 96' ' ' PHE . 78.6 mt -101.03 -57.58 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 -175.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -148.35 153.02 38.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.624 -171.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -125.86 127.84 46.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -130.45 109.9 11.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.158 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.19 129.05 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 91' ' ' GLU . 77.6 mt -94.95 -50.04 5.29 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.01 158.45 29.44 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.143 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.422 ' HG ' HG21 ' A' ' 90' ' ' VAL . 44.8 m -148.17 144.11 27.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.2 m -147.35 119.21 8.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.0 124.42 43.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.924 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -117.96 90.92 3.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.55 -90.74 0.12 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.397 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -125.4 -4.18 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 111.069 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.407 ' HE ' ' HB3' ' A' ' 87' ' ' ARG . 1.7 tmm_? -114.38 133.16 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.61 166.05 25.15 Favored Glycine 0 CA--C 1.509 -0.331 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.605 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 m -146.42 143.13 28.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.422 HG21 ' HG ' ' A' ' 81' ' ' SER . 2.3 p -140.4 132.37 31.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.987 0.422 . . . . 0.0 110.753 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 79' ' ' LEU . 38.2 tt0 -104.3 139.84 38.72 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.66 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -157.85 -177.18 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 HD12 ' A' ' 79' ' ' LEU . 78.0 mt -135.88 114.52 15.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.557 176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.51 112.12 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.196 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -95.61 126.29 40.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.2 p90 -150.08 162.4 40.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.673 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -89.57 118.66 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 1.6 tpm_? . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.137 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 C--O 1.234 0.301 0 CA-C-O 121.162 0.401 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.46 106.74 17.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -98.33 141.41 31.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.986 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -125.32 112.62 16.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.923 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -88.9 114.97 26.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.812 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -97.12 108.96 21.8 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.94 175.42 9.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.157 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -138.14 107.91 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.468 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.43 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 14.9 p -100.75 134.05 44.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.825 0.345 . . . . 0.0 111.406 -175.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -92.19 141.63 28.37 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.729 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 31' ' ' LEU . 83.0 m-85 -126.68 146.92 50.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.843 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -117.09 133.92 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -92.27 114.22 26.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.968 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -133.27 136.07 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.154 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.87 24.63 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.333 0.587 . . . . 0.0 110.349 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.47 -18.19 53.23 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.102 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 157.0 16.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 117.017 0.409 . . . . 0.0 110.14 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -102.71 131.68 49.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.901 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.441 . . . . 0.0 110.367 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.05 117.17 16.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.597 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -96.58 -44.5 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.781 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -166.78 158.23 12.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.474 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -152.86 123.74 1.49 Allowed Glycine 0 CA--C 1.517 0.158 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.154 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.45 143.58 45.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.529 0.332 . . . . 0.0 110.921 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 169.247 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.4 t . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.582 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.8 m -59.52 84.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 122.244 1.021 . . . . 0.0 109.81 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.582 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 99.2 m -171.27 153.48 3.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.843 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.412 ' N ' ' HB3' ' A' ' 76' ' ' LEU . . . -74.49 52.92 2.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.606 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -160.87 122.63 3.04 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.62 55.89 4.46 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.459 -0.401 . . . . 0.0 113.193 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 35.0 mtmt -124.26 163.49 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 82.0 p -68.51 170.46 9.05 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 111.233 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.522 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 39.6 t80 -59.33 -52.68 64.62 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.91 -55.17 38.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.852 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.13 -50.31 71.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.525 0.679 . . . . 0.0 110.731 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.4 t -79.77 -75.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.783 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.8 m -74.54 -24.99 59.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.63 -55.2 21.32 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 47.7 Cg_endo -70.27 -26.61 25.0 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.08 1.854 . . . . 0.0 112.421 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 4.2 mm? -75.32 -47.94 25.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.885 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.36 -32.02 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.49 -6.02 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.89 16.27 3.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.21 -19.51 56.59 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.824 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 63.8 ttt-85 -130.78 130.02 43.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.706 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 p -86.44 126.86 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -51.16 -37.5 46.67 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.219 0.324 . . . . 0.0 111.232 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.96 15.44 9.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.664 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 p -159.49 141.88 10.02 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.814 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.45 -49.02 6.45 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.704 2.269 . . . . 0.0 113.072 -172.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -30.08 70.74 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.686 0.279 . . . . 0.0 111.637 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -69.45 -49.07 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.172 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.525 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.2 tm? -61.24 -35.82 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.172 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.692 ' HE1' HG23 ' A' ' 78' ' ' VAL . 16.5 tmm? -64.22 -50.21 68.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.437 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.41 -28.26 62.86 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.978 -175.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 51.8 p -69.79 -44.19 70.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.253 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -72.24 -32.5 66.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 -178.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 52.5 t80 -52.33 -44.92 65.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 110.537 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.564 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -61.92 -36.72 82.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 47' ' ' ILE . . . -59.44 -36.17 75.42 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.75 -46.86 88.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.193 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.46 -17.9 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 93.5 mt -99.1 4.74 47.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 4.7 tppp? 70.53 3.38 4.48 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.247 0.546 . . . . 0.0 110.957 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.14 79.3 5.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.214 0.53 . . . . 0.0 110.557 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -72.65 -9.93 59.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.559 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.26 -51.08 70.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.718 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.428 ' HH ' ' HB3' ' A' ' 18' ' ' LEU . 52.6 t80 -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 38' ' ' ALA . 50.6 mm -62.63 -59.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.5 -35.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.658 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -67.5 -30.39 70.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.586 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.525 ' HB ' HD11 ' A' ' 31' ' ' LEU . 32.4 p -98.01 22.26 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -113.07 138.07 50.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.171 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.32 136.02 16.46 Favored Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 123.363 0.414 . . . . 0.0 109.978 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.91 -41.02 65.6 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 111.413 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.32 -28.86 67.19 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.2 mmt180 -99.25 -25.11 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.176 0.513 . . . . 0.0 110.285 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -64.13 -35.13 79.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.08 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.0 -27.12 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.138 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.6 -6.92 51.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.478 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -71.42 144.43 49.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.543 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 10.0 m-20 -118.98 129.29 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.225 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -59.56 -50.38 74.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.46 -48.01 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.035 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 60' ' ' ASP . 78.1 t -62.88 -36.2 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.729 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' HA ' ' CE3' ' A' ' 67' ' ' TRP . 33.0 t-20 -57.68 -46.23 84.55 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.394 0.616 . . . . 0.0 109.553 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 39.0 ttm180 -66.81 -42.23 86.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.382 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.93 -37.25 60.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 24.3 m0 -57.84 -52.73 64.29 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.139 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.609 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 17.8 ptm -69.15 -31.17 69.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.699 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 18.8 mm-40 -57.68 -45.65 85.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.947 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.45 12.93 35.04 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -146.39 79.99 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.811 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.66 101.44 1.03 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.959 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 87.6 m-85 -69.74 123.06 20.44 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.71 -175.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 96' ' ' PHE . 10.8 mp -93.54 -65.45 0.99 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.053 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.43 157.66 40.25 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.68 0.276 . . . . 0.0 110.691 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 32' ' ' MET . 53.0 tp -110.23 150.4 28.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -176.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.89 103.88 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG23 ' HE1' ' A' ' 32' ' ' MET . 47.4 t -85.83 109.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.66 0.266 . . . . 0.0 110.288 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.12 -64.38 1.15 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.816 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.0 153.03 24.74 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.316 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 p -135.27 153.24 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.621 0.248 . . . . 0.0 110.544 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -147.02 119.74 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.455 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -101.32 121.58 42.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -120.9 83.17 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.191 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.98 -90.1 0.21 Allowed Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.305 -0.474 . . . . 0.0 112.582 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -125.96 2.84 7.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 110.594 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -115.25 133.13 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.97 158.07 19.38 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.879 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -150.14 131.74 14.88 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.7 131.56 50.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -105.02 129.61 53.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.12 176.16 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.398 0.618 . . . . 0.0 111.861 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.416 HG12 ' HB2' ' A' ' 107' ' ' HIS . 66.4 mt -132.18 121.89 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.557 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.38 123.15 46.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -95.35 132.8 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.7 p90 -154.34 159.67 41.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.33 115.03 26.5 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 . . . . . 0 C--O 1.236 0.372 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.219 -176.02 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.233 0.259 0 N-CA-C 113.108 0.388 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.95 101.45 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.203 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -96.55 145.7 25.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 6.8 p -116.16 112.15 21.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.228 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 7.1 t60 -83.25 111.59 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.142 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.416 ' HB2' HG12 ' A' ' 93' ' ' ILE . 10.1 t-160 -102.96 119.07 38.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.628 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 7.1 pt-20 -153.9 -175.98 5.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.003 0.43 . . . . 0.0 111.022 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -133.47 107.9 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.622 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 m -97.51 139.29 33.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.996 0.427 . . . . 0.0 111.31 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.92 141.34 31.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.066 175.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -128.1 148.53 50.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.634 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -120.87 131.56 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 0.0 110.386 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.99 110.1 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.63 131.13 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.188 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 61.84 21.96 12.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.631 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.67 66.84 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.825 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -102.32 156.75 17.38 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -97.72 132.85 42.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.71 0.291 . . . . 0.0 110.34 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.88 158.63 33.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.362 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -82.73 119.31 24.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.529 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 18.4 m -91.98 -45.95 8.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.32 154.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.512 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.81 130.88 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -155.12 171.37 19.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.86 0.362 . . . . 0.0 110.681 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.028 179.851 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.7 t . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.7 m -68.13 73.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 122.229 1.014 . . . . 0.0 110.102 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 37.7 m -167.16 149.3 6.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.813 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.64 70.81 1.11 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 m -130.22 -36.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.681 0.277 . . . . 0.0 111.572 -171.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.44 22.2 78.84 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.071 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -129.54 171.55 12.47 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.564 0.221 . . . . 0.0 110.423 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.9 p -73.07 178.96 4.03 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 44.6 t80 -60.34 -50.52 73.29 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 174.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.31 -47.81 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.557 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.87 -32.14 71.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.93 -78.34 0.46 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.783 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.0 m -73.87 -21.17 60.19 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.89 -55.17 15.48 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.352 -0.693 . . . . 0.0 114.755 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 41.7 Cg_endo -68.45 -25.53 35.41 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.042 1.828 . . . . 0.0 112.442 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.8 mm? -75.44 -51.6 12.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.302 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.3 -21.89 61.28 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.541 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 22' ' ' THR . . . -72.03 -9.37 58.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.041 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 21' ' ' ARG . 11.2 mmm180 59.65 27.38 16.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.499 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.445 HG21 ' HB1' ' A' ' 20' ' ' ALA . 9.5 t -109.09 -24.56 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.436 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 14.4 ttm180 -123.81 145.9 48.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 111.48 -176.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -96.09 134.69 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.51 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.966 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.29 13.15 6.75 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.007 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -159.7 140.47 9.05 Favored Pre-proline 0 C--O 1.235 0.3 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -60.49 -42.35 41.33 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.511 2.141 . . . . 0.0 111.592 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.6 -45.84 91.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.252 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -66.47 -29.26 69.34 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.67 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 50' ' ' THR . 3.0 tm? -72.64 -47.43 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.562 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.494 ' HE1' ' CE2' ' A' ' 92' ' ' PHE . 12.0 tpt -64.81 -50.69 65.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.811 -176.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -65.72 -21.22 66.51 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.784 -174.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -76.3 -50.64 13.82 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.584 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HB2' HD11 ' A' ' 47' ' ' ILE . 21.0 ptt180 -67.31 -32.41 73.36 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.606 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -52.37 -42.29 63.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 110.471 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.635 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -67.56 -39.06 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.672 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.054 0.454 . . . . 0.0 110.214 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.917 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -29.65 68.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.244 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 98.5 mt -84.15 8.65 14.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 176.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 66.2 mmtt 68.32 6.54 5.38 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.478 0.711 . . . . 0.0 110.978 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.97 80.3 5.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 p90 -72.1 -11.84 60.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.75 -49.26 78.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.013 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 88.2 t80 -64.38 -32.77 74.52 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.358 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.3 mm -62.2 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.04 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' PHE . 95.5 t -54.85 -45.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.336 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.524 ' HB ' HD13 ' A' ' 31' ' ' LEU . 20.6 p -83.1 10.03 9.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.938 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -98.55 147.91 24.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.7 t70 -50.21 134.6 23.44 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 123.854 0.721 . . . . 0.0 110.473 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.71 -27.29 33.19 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.15 -43.0 18.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 122' ' ' SER . 32.9 mmt180 -78.56 -19.41 52.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.02 -26.81 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.747 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.99 -23.84 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.688 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.22 -12.48 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.241 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -76.89 158.58 30.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.188 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -156.07 141.07 17.29 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.31 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -53.46 -44.71 69.15 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.756 -175.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.26 -55.18 36.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.417 0.627 . . . . 0.0 110.966 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.95 -43.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.145 -170.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -63.6 -39.29 94.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.487 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 10.6 tpt180 -62.5 -55.74 24.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.42 -46.48 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.815 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.76 -51.51 68.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.482 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.539 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -71.15 -18.25 62.51 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.741 0.305 . . . . 0.0 111.124 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.2 mm-40 -76.77 -55.28 5.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -82.56 -27.22 31.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.638 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.9 m -105.22 93.35 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 0.0 110.362 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.99 121.14 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.48 114.64 14.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.877 0.37 . . . . 0.0 111.261 -175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.8 -54.78 3.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.3 tt0 -148.08 149.08 31.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.313 -167.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 77' ' ' ARG . 3.3 tm? -127.18 137.0 52.84 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.438 ' N ' HD11 ' A' ' 76' ' ' LEU . 38.2 ttm180 -142.44 109.07 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 110.685 -176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.2 t -80.34 126.67 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.093 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.8 mt -96.65 -48.1 5.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.142 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.79 138.86 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.093 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -123.9 141.08 52.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -148.03 145.77 28.61 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.303 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -130.01 135.68 48.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.256 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -128.94 65.14 1.45 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.46 -104.07 1.3 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.947 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 m -96.81 5.48 50.5 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 111.281 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.436 HH11 ' HB2' ' A' ' 113' ' ' ARG . 19.4 tpt180 -136.41 139.11 42.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.93 175.72 27.11 Favored Glycine 0 CA--C 1.508 -0.349 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.265 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.6 m -151.45 142.94 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.52 126.54 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.12 0.486 . . . . 0.0 109.913 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.88 132.81 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CE2' ' HE1' ' A' ' 32' ' ' MET . 41.2 p90 -155.96 179.0 9.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.379 0.609 . . . . 0.0 111.499 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.93 117.34 47.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.892 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.87 109.6 22.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.513 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 78.3 ttt180 -95.24 122.2 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.965 0.412 . . . . 0.0 110.227 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -143.42 169.78 17.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.155 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 54.1 ttp180 -89.76 122.01 32.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.249 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 CA--C 1.531 0.343 0 N-CA-C 113.489 0.534 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 65.3 mt-10 -98.01 171.55 8.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 174.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -161.41 146.45 13.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.242 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 p -129.2 111.84 13.32 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -85.65 107.49 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.359 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -91.43 101.11 13.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.54 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.23 166.09 15.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 111.096 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -132.89 101.26 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.433 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 73.6 m -107.64 141.27 39.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.242 0.544 . . . . 0.0 112.016 -171.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -97.94 143.25 28.72 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.251 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -127.24 140.85 51.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.485 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.436 ' HB2' HH11 ' A' ' 87' ' ' ARG . 22.2 ttp180 -109.52 138.94 45.14 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HE2' ' HA2' ' A' ' 117' ' ' GLY . 78.5 tttt -95.71 122.87 38.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.262 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.07 132.55 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.845 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 62.51 17.12 9.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.219 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.51 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 91.71 -14.79 63.17 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.224 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.52 148.34 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -98.3 136.77 38.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -125.42 136.0 52.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.169 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -62.79 112.54 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.207 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 56.3 m -95.4 -31.8 13.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.794 -173.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 178.6 159.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -151.05 146.69 15.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.85 164.37 36.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.471 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.484 0.183 . . . . 0.0 110.681 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.77 -14.85 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.853 0.461 . . . . 0.0 111.926 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 34.4 m -64.87 173.17 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.734 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.53 54.21 2.84 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -160.88 114.68 2.05 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.7 -9.7 59.49 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.974 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 22.0 mtmt -59.78 159.55 8.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -67.63 172.56 5.04 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.052 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -51.36 -55.7 17.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.247 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.4 -54.03 19.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.756 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.13 0.491 . . . . 0.0 110.971 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' O ' HD21 ' A' ' 18' ' ' LEU . 2.0 t -93.2 -75.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.093 176.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 m -74.63 -26.57 59.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.23 15.23 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.637 0.615 . . . . 0.0 114.637 -168.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 58.0 Cg_endo -72.29 -25.28 18.78 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 122.021 1.814 . . . . 0.0 112.683 -178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 14' ' ' CYS . 3.8 mm? -75.57 -50.73 14.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.14 -30.8 69.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HD2' ' HD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 60.08 20.27 9.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.285 -176.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -84.55 -16.01 43.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 77.3 ttt180 -134.21 130.22 36.88 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 p -85.54 120.57 27.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.385 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 18' ' ' LEU . . . -55.11 -37.38 66.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.678 0.275 . . . . 0.0 111.154 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.84 15.72 8.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.942 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.3 t -146.95 137.52 12.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.14 -46.38 12.99 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.557 2.172 . . . . 0.0 111.818 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.0 pt-20 -62.57 -46.44 88.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -62.25 -40.49 96.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 50' ' ' THR . 3.3 tm? -70.6 -41.13 72.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.571 ' HE2' HD12 ' A' ' 76' ' ' LEU . 15.8 tmm? -62.57 -51.05 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.794 -175.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -74.83 -20.89 59.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.835 -175.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.5 m -72.59 -46.81 52.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.293 173.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' MET . 1.7 ptm180 -69.15 -34.7 75.41 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.627 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 34.0 t80 -51.38 -42.07 61.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 110.592 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -58.82 -33.44 70.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.792 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -58.87 -37.63 76.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 8.3 m-85 -63.69 -44.51 93.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 110.419 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.4 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.8 mt -99.22 15.64 25.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.682 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.1 OUTLIER 51.33 14.96 0.26 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.397 178.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.7 t70 -102.78 92.27 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.45 -13.63 61.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.219 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.9 -51.98 66.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.545 0.212 . . . . 0.0 111.011 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.424 ' HD1' ' HD2' ' A' ' 21' ' ' ARG . 32.3 t80 -61.56 -32.59 72.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 110.478 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 35' ' ' ARG . 44.7 mm -61.13 -56.14 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 44' ' ' PHE . 54.9 t -51.31 -45.65 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.611 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.85 -28.36 69.97 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.104 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 ' HB ' HD13 ' A' ' 31' ' ' LEU . 30.1 p -101.05 22.67 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.362 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.3 m -103.61 148.75 25.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.724 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 10.0 t70 -49.19 135.12 15.92 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.09 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.72 -33.77 71.46 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.47 2.114 . . . . 0.0 112.124 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.8 -12.88 55.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.536 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 36.5 mmt180 -101.03 -31.69 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.014 0.435 . . . . 0.0 110.413 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.733 -173.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 -30.7 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -84.06 -23.53 30.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.86 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.26 126.3 26.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.32 145.14 40.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.108 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -61.78 -49.8 74.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.07 -42.21 99.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.504 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.65 -43.11 98.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.513 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -40.77 98.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.408 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.3 ttp180 -64.42 -48.43 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.109 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.92 -35.67 46.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.327 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.46 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 2.1 t-105 -59.65 -53.41 58.31 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.669 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.5 ptt? -71.75 -21.87 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 38.2 mt-10 -74.24 -35.69 63.85 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.465 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' TRP . 16.2 pt-20 -85.19 -7.88 58.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.865 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 p -158.42 107.05 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 111.327 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.99 109.58 14.56 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.8 m-85 -74.99 116.47 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.943 0.401 . . . . 0.0 111.913 -174.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -90.06 -56.43 3.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.746 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 38.5 tt0 -141.89 147.23 36.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.422 -167.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.627 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.1 tm? -117.89 142.36 47.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.906 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.469 ' N ' HD13 ' A' ' 76' ' ' LEU . 34.8 ttm180 -140.83 102.11 4.21 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.235 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.25 129.34 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.494 HD11 HG13 ' A' ' 93' ' ' ILE . 78.0 mt -99.55 -50.17 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.605 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.45 161.35 29.14 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p -153.19 117.48 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.985 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 23.8 m -103.92 134.42 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.227 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.23 114.88 19.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.561 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 70.9 mmtt -117.26 51.08 1.04 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.257 0.551 . . . . 0.0 109.965 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.53 -97.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.876 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 18.0 p -92.2 -1.32 57.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.491 -175.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.583 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.0 tmm_? -144.11 142.24 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.583 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -153.77 -178.09 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.4 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -152.57 148.83 27.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -139.78 125.84 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.081 0.467 . . . . 0.0 109.852 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.87 132.52 50.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.085 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.0 177.31 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.494 HG13 HD11 ' A' ' 79' ' ' LEU . 78.8 mt -123.16 115.95 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.567 175.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.42 116.38 28.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.008 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.504 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 55.0 ttt180 -94.99 116.79 29.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.421 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -136.61 175.71 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.319 0.581 . . . . 0.0 111.66 -177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 47.9 ttt180 -114.38 107.51 15.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.2 ptt85 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 120.821 0.343 . . . . 0.0 110.775 -174.242 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.236 0.414 0 CA-C-O 120.951 0.313 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.8 mt-10 -76.73 155.48 33.2 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.807 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -161.22 146.41 13.91 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 p -106.35 150.76 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.846 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.64 104.82 7.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.071 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.462 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.9 t-160 -93.0 105.35 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.976 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 6.0 pt-20 -129.18 -177.62 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 111.445 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -134.35 107.14 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.821 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 m -98.98 126.9 44.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 111.408 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.96 143.12 27.28 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.953 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -134.39 142.19 47.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.736 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 ttm-85 -104.64 148.93 26.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 78.8 tttt -105.29 122.77 46.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.861 0.362 . . . . 0.0 110.682 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.43 139.73 27.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 63.78 10.43 5.14 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.364 0.265 . . . . 0.0 111.157 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.59 67.07 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -90.44 158.2 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -109.05 141.87 40.57 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.55 134.57 47.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.601 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.97 116.12 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.207 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 51.1 m -91.26 -50.14 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.622 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.44 150.8 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.11 156.56 25.64 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.4 pt-20 -163.65 146.84 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 110.833 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.139 176.167 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 2.5 t . . . . . 0 CA--C 1.518 -0.271 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.514 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.1 m -63.65 80.78 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 122.095 0.95 . . . . 0.0 110.032 173.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.629 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 84.6 m -165.73 144.39 6.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.594 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.83 74.23 0.25 Allowed Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 p -174.23 134.56 0.43 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.04 57.14 3.97 Favored Glycine 0 C--N 1.329 0.151 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -124.4 156.64 36.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.702 0.401 . . . . 0.0 110.94 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.2 p -79.58 169.66 17.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.135 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 t80 -57.61 -54.12 50.4 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.768 0.318 . . . . 0.0 110.266 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.94 -53.52 20.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.97 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -53.52 -31.77 47.6 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.425 0.631 . . . . 0.0 110.663 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.7 t -94.04 -80.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.517 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.1 m -73.79 -21.47 60.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.64 -55.75 23.66 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 120.848 -0.691 . . . . 0.0 114.376 -170.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 56.5 Cg_endo -71.75 -25.31 20.53 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.151 1.901 . . . . 0.0 112.565 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.7 mm? -75.51 -51.5 12.81 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.84 -11.16 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.286 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 62.08 14.63 6.69 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.999 0.428 . . . . 0.0 110.886 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -99.28 -33.28 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.109 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.528 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 39.6 ttm180 -115.1 132.78 56.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.922 0.391 . . . . 0.0 111.245 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -83.75 132.96 34.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.325 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . . . -59.68 -28.15 67.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.65 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 60.29 14.48 4.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.883 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 139.56 6.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.75 -53.44 4.49 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.937 2.424 . . . . 0.0 112.887 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 4.8 pt-20 -60.7 -40.12 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.181 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . . . -60.65 -41.35 94.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 110.855 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.16 -41.48 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.747 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.52 ' HE2' ' CZ ' ' A' ' 92' ' ' PHE . 12.9 tpt -65.58 -50.11 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.373 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -70.22 -21.83 62.97 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.499 -176.332 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -71.65 -41.48 68.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 33.9 mtm180 -63.08 -39.03 93.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.5 -46.74 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.6 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.629 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -62.71 -34.85 78.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.27 96.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.32 -37.55 85.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.184 177.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.35 66.96 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.508 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.26 16.89 22.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.229 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 45.36 21.62 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.257 1.023 . . . . 0.0 112.522 -175.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 61.39 5.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.199 175.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.4 p90 -63.18 -16.12 59.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.151 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.27 -39.92 61.05 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.87 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 59.5 t80 -70.73 -32.39 69.56 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.705 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 39' ' ' TYR . 38.0 mm -63.17 -48.66 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.504 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.35 -34.28 69.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.181 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -62.56 -25.01 67.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.574 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -109.43 23.05 15.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 111.22 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 m -99.06 150.82 21.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.335 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 11.8 t70 -52.93 136.96 46.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.278 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.48 -33.35 46.89 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.934 2.423 . . . . 0.0 112.419 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.01 -47.16 16.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.748 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 13.5 mmt180 -70.77 -25.91 63.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.852 -175.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -59.34 -26.8 65.35 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.84 -32.36 70.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.143 0.496 . . . . 0.0 110.238 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.4 -20.86 43.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.798 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.97 120.81 17.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.022 0.439 . . . . 0.0 111.452 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -120.23 140.19 51.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.825 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.92 -42.01 95.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.729 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.62 -37.94 85.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.737 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.47 -46.22 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -57.5 -40.83 79.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 78.8 ttt180 -63.35 -46.14 87.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.481 177.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.66 -175.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -66.51 -43.02 86.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.5 ptt? -70.81 -19.54 62.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.328 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 32.8 mm-40 -78.41 -42.51 29.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.593 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.27 -8.3 59.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.227 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -143.83 107.06 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 111.74 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.08 109.87 19.14 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.4 m-85 -71.52 116.75 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.842 0.354 . . . . 0.0 111.656 -174.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.18 -50.27 6.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.012 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -157.85 150.19 22.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.0 tp -104.36 145.91 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.834 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HD2' HD12 ' A' ' 93' ' ' ILE . 55.0 ttm-85 -130.85 99.05 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.89 128.14 39.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.53 -59.3 1.74 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -136.91 153.52 21.78 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.262 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 p -156.82 138.93 14.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.2 m -150.39 125.32 9.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 33.7 tt0 -98.12 117.4 32.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 170.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -112.56 83.72 1.86 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.182 0.515 . . . . 0.0 110.043 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.91 -91.95 0.61 Allowed Glycine 0 CA--C 1.518 0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.498 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -127.69 11.69 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.274 0.559 . . . . 0.0 110.703 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.416 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 2.1 tmt_? -139.31 133.64 31.47 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.1 171.81 23.2 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.77 -175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.1 m -149.06 144.39 26.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.01 127.06 23.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.165 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.3 139.5 39.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.4 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CZ ' ' HE2' ' A' ' 32' ' ' MET . 29.7 p90 -156.67 -177.85 6.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.003 0.43 . . . . 0.0 111.049 -174.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.448 HD12 ' HD2' ' A' ' 77' ' ' ARG . 90.0 mt -134.62 117.14 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.183 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.71 114.56 27.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.434 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -95.25 114.65 26.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.3 p90 -138.83 159.52 41.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.444 -177.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 50.0 ttp180 -90.32 120.03 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.6 ttt-85 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.5 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 CA--C 1.533 0.439 0 N-CA-C 113.381 0.493 . . . . 0.0 113.381 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 36.6 mt-10 -77.44 121.61 24.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.773 173.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -110.59 141.59 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.951 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.3 p -118.81 111.86 18.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -100.33 128.27 46.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -104.94 103.82 13.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.41 174.08 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.374 0.607 . . . . 0.0 111.245 -177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -136.61 118.46 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.272 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.5 m -105.21 128.95 53.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.416 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.5 mp0 -95.62 141.14 29.48 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.703 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.414 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 75.9 m-85 -129.29 146.6 51.16 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -176.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -103.57 136.34 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.625 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -99.95 114.56 27.9 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.927 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.9 20.92 11.18 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.385 0.612 . . . . 0.0 109.794 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.24 51.76 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.27 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -88.62 144.1 26.51 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.439 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 79.0 m95 -92.76 128.6 38.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.688 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -122.12 144.14 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.024 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.84 124.73 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -98.21 -63.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.405 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.43 151.6 29.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.859 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.01 140.84 7.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.153 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -160.93 174.15 14.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.102 177.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -126.73 166.44 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 150.98 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.578 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.3 m -79.67 34.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -158.71 159.63 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.89 79.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.603 0 O-C-N 123.767 0.667 . . . . 0.0 113.892 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' CYS . 20.0 m -161.86 120.51 2.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.52 58.0 1.62 Allowed Glycine 0 C--N 1.334 0.424 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.632 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.6 mmmt -143.31 172.03 13.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.404 0.681 . . . . 0.0 109.591 -169.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.6 p -78.47 -177.05 5.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 174.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.88 -55.98 12.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.61 -56.62 19.1 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.549 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.06 -23.46 65.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.859 0.361 . . . . 0.0 111.569 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.632 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 14.3 t -98.91 -84.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.872 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 55.2 m -73.67 -21.1 60.37 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -55.11 -55.22 29.29 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.696 -0.502 . . . . 0.0 114.15 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.588 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 20.2 Cg_endo -61.46 -30.04 86.09 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.463 2.109 . . . . 0.0 112.591 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.3 mm? -74.76 -51.33 14.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.119 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 38' ' ' ALA . 19.9 mt -67.3 -22.06 65.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.23 -6.14 54.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.751 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 59.19 21.81 9.94 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -101.81 -30.3 11.36 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 75.5 ttt180 -127.27 140.42 52.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.724 0.297 . . . . 0.0 110.989 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -82.81 140.69 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.313 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.05 74.69 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.633 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.57 14.78 7.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.056 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 t -160.3 141.95 9.3 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.36 -48.31 11.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.681 2.254 . . . . 0.0 111.764 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.8 pt-20 -63.97 -42.81 97.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.229 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.5 -34.71 72.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -75.09 -42.96 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.765 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -61.59 -52.33 64.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.97 -173.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.519 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -72.86 -21.85 60.87 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.96 -173.267 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.428 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 63.2 m -74.32 -39.24 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' HG3' HD13 ' A' ' 31' ' ' LEU . 12.5 mtm180 -65.54 -41.3 93.2 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.058 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 46.8 t80 -51.73 -41.93 61.9 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.775 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.52 88.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.1 -34.5 77.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.72 -45.54 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.314 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.57 65.14 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.856 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.74 16.34 23.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.595 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HB3' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.06 23.82 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.525 1.13 . . . . 0.0 113.475 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.27 67.03 10.01 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -70.91 -15.59 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.79 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 34.3 t70 -59.92 -49.13 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 63.4 t80 -57.43 -42.0 81.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.563 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 38' ' ' ALA . 40.2 mm -55.0 -58.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.858 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.1 -46.42 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 49.2 mt-10 -57.78 -40.68 80.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.433 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -94.5 22.02 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.189 0.519 . . . . 0.0 111.429 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' HB2' ' A' ' 55' ' ' ARG . 61.8 m -100.19 151.06 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.865 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 14.4 t70 -47.18 138.97 7.64 Favored Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.874 0.734 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.14 -36.88 47.13 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.881 2.387 . . . . 0.0 112.277 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.29 -45.92 44.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.8 mmt180 -74.82 -25.11 58.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.321 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -62.38 -30.64 71.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.652 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.81 -23.02 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.659 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.53 -14.38 43.19 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.314 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -79.33 152.4 30.48 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.45 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -140.6 142.96 35.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -52.25 -50.68 61.57 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.342 0.401 . . . . 0.0 111.81 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.24 -39.37 65.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.16 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.465 ' HA ' ' CZ3' ' A' ' 67' ' ' TRP . 93.2 m-20 -62.5 -35.86 80.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.329 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 38.3 ttm-85 -73.37 -35.29 65.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.514 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.07 -41.25 34.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.343 -173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CZ3' ' HA ' ' A' ' 64' ' ' ASN . 4.9 m-90 -60.68 -49.07 79.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' A' ' 42' ' ' LYS . 22.8 ptm -68.55 -27.0 65.69 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.987 0.422 . . . . 0.0 110.689 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 14.1 mm-40 -64.67 -31.64 72.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.173 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.71 -19.82 12.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.8 m -123.69 101.08 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.7 t70 -75.4 110.9 10.15 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.698 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -72.97 114.41 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.701 0.286 . . . . 0.0 111.464 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.62 -61.15 1.66 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -148.11 148.68 30.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.069 0.461 . . . . 0.0 111.121 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -114.48 131.37 56.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -132.5 105.54 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -76.55 140.47 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.492 HD13 ' HG3' ' A' ' 91' ' ' GLU . 52.8 mt -102.06 -46.84 4.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.151 0.5 . . . . 0.0 110.199 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.98 162.73 32.83 Favored Glycine 0 CA--C 1.517 0.185 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.397 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.3 t -163.81 148.97 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.03 0.415 . . . . 0.0 110.562 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -153.89 130.46 10.67 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 34.3 tt0 -96.86 128.15 43.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -125.16 78.18 1.69 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.204 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.02 -79.21 0.1 Allowed Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.344 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 p -124.74 -4.04 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.34 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -120.78 133.33 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.78 156.57 18.82 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.207 -0.521 . . . . 0.0 111.888 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.3 m -147.22 132.85 18.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.71 125.51 21.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.221 0.534 . . . . 0.0 111.378 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' HG3' HD13 ' A' ' 79' ' ' LEU . 9.7 tp10 -92.44 132.3 36.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -151.61 170.4 19.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.66 0.743 . . . . 0.0 112.608 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' A' ' 107' ' ' HIS . 57.2 mt -132.82 119.65 38.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.21 173.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.54 114.38 28.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -95.0 118.3 31.58 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.135 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -139.03 151.73 47.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.59 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 9.3 ttp180 -89.38 107.29 18.98 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 102' ' ' PRO . 46.9 ttt85 -107.59 101.81 11.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.959 -174.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.99 -179.14 29.87 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.83 78.91 1.96 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.14 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.67 -67.25 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.709 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 48.8 Cg_endo -67.13 131.48 25.32 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.823 2.348 . . . . 0.0 113.82 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.57 113.53 25.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.358 173.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -105.57 149.0 26.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.9 p -125.23 118.8 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.121 0.486 . . . . 0.0 110.589 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -90.67 105.17 17.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.646 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.481 ' HB2' HG12 ' A' ' 93' ' ' ILE . 13.9 t-160 -97.97 119.09 35.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 24.4 pt-20 -162.45 172.23 15.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.091 0.472 . . . . 0.0 111.254 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.618 ' NH1' HG21 ' A' ' 127' ' ' VAL . 34.3 ttp180 -119.29 117.99 30.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.035 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.42 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 68.1 m -103.91 134.74 46.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.397 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.54 142.07 27.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.415 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.24 144.33 50.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.047 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -108.0 133.98 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -96.43 122.11 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -131.06 122.47 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? 56.9 28.38 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.39 45.51 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.087 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 151.57 21.28 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.418 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 75.2 m95 -98.65 135.61 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.436 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -127.32 136.19 51.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.802 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -70.5 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.9 m -89.65 -52.69 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.87 165.13 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.633 0.254 . . . . 0.0 110.905 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -155.81 137.16 5.41 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.5 pt-20 -155.05 176.26 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.75 133.47 42.18 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.618 HG21 ' NH1' ' A' ' 109' ' ' ARG . 0.7 OUTLIER -52.53 123.5 3.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.524 179.554 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.999 178.444 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' HA ' ' A' ' 10' ' ' THR . 62.7 mtt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -52.94 159.19 1.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.435 0.459 . . . . 0.0 111.609 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 7.3 t -87.48 145.97 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.87 -23.05 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 111.127 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -96.72 157.05 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.76 81.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.585 0 O-C-N 123.792 0.683 . . . . 0.0 113.157 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' CYS . 25.2 m -163.81 115.4 1.38 Allowed 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.91 43.93 1.75 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.426 -0.416 . . . . 0.0 112.743 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 17.0 mtmt -136.4 167.74 20.77 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 1' ' ' MET . 35.9 p -68.37 169.67 10.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.464 0.173 . . . . 0.0 110.96 -176.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -52.92 -57.38 10.48 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.1 -49.46 74.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.904 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.927 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 6.3 t -101.9 -80.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.835 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 m -73.58 -21.54 60.31 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.96 -55.34 18.84 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.047 -0.597 . . . . 0.0 114.255 -171.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.94 -25.83 27.34 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.09 1.86 . . . . 0.0 112.748 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD21 HH11 ' A' ' 23' ' ' ARG . 4.0 mm? -75.01 -45.16 43.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.988 0.423 . . . . 0.0 110.401 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD12 HD13 ' A' ' 41' ' ' LEU . 2.4 mt -69.88 -22.02 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.985 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.24 -8.63 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.608 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 61.97 17.67 9.19 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -92.15 -33.25 14.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.751 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 HH11 HD21 ' A' ' 18' ' ' LEU . 65.0 ttt-85 -105.89 130.82 53.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.577 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.511 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.2 p -84.88 125.14 32.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CB ' ' A' ' 30' ' ' ALA . . . -60.89 -24.5 66.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.55 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 68.36 -2.29 1.62 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -154.06 149.69 21.18 Favored Pre-proline 0 C--O 1.235 0.331 0 C-N-CA 121.955 0.102 . . . . 0.0 110.729 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HB3' ' HB2' ' A' ' 112' ' ' PHE . 20.1 Cg_endo -59.08 -47.89 16.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 123.091 2.527 . . . . 0.0 112.569 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.8 pt-20 -60.01 -44.6 94.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.975 0.417 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.586 ' HA ' HH11 ' A' ' 33' ' ' ARG . . . -62.79 -44.35 96.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.513 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.2 tm? -66.31 -35.24 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -62.02 -51.73 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.567 -177.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.586 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.96 -29.21 65.15 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.137 -173.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -70.38 -42.86 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -62.58 -51.22 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.718 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.46 -40.6 59.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.245 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.04 -37.82 69.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -66.37 -26.01 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -62.76 -37.94 88.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.069 0.461 . . . . 0.0 110.058 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.83 -18.48 50.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.017 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 HD13 HD12 ' A' ' 19' ' ' LEU . 64.9 mt -105.25 20.04 19.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.776 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.55 23.08 0.07 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.431 1.092 . . . . 0.0 113.1 -178.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -95.74 70.03 2.96 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -68.6 -19.73 64.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.646 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.68 -39.91 80.36 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -55.79 -36.31 67.27 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 38' ' ' ALA . 23.1 mm -57.99 -56.3 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.191 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.492 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 16.6 t -57.69 -35.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.9 -48.01 83.45 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.413 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 p -89.24 22.15 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.716 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 52' ' ' ASP . 55.2 m -99.65 152.63 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.523 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 14.7 t70 -50.27 137.02 22.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 173.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.44 -33.39 92.04 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.89 2.394 . . . . 0.0 112.421 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -82.37 -43.06 17.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.292 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 122' ' ' SER . 31.2 mmt180 -67.96 -28.58 67.57 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 19.0 ttp180 -61.6 -17.45 55.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.9 -25.55 68.2 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.61 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.62 -15.42 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.822 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.79 94.32 9.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.85 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 63' ' ' VAL . 12.1 m-20 -91.82 142.82 27.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -53.39 -41.35 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.87 -51.58 68.71 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.74 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 60' ' ' ASP . 94.3 t -58.1 -45.59 88.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.335 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.379 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 42.3 ttm105 -71.37 -39.64 71.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.979 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.97 -27.08 17.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.771 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -61.05 -55.89 27.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.898 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.36 -24.15 62.92 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.859 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.2 mm-40 -66.39 -39.53 89.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.45 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.73 -29.74 12.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.595 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -134.59 115.91 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.991 0.424 . . . . 0.0 111.419 -176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.58 116.01 19.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.324 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -71.5 114.08 9.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 110.748 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.83 -59.57 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.802 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 31.3 tt0 -138.11 149.36 45.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.262 -169.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 tp -115.53 129.66 56.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.821 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 79.3 ttt180 -119.11 98.73 6.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.23 113.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.5 mt -83.46 -51.5 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.5 159.49 30.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.02 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -134.29 159.61 40.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.4 m -154.01 139.97 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.988 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.28 122.98 15.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.797 0.332 . . . . 0.0 110.257 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -113.88 49.88 0.96 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.268 0.556 . . . . 0.0 109.763 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.26 -82.89 0.54 Allowed Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.759 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 p -86.97 -29.79 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.714 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.516 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.6 tmm_? -124.14 136.09 53.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -141.73 171.58 24.36 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -154.66 148.14 25.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.73 132.47 48.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -100.65 132.97 45.77 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.629 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -151.23 -178.25 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.136 0.493 . . . . 0.0 111.17 -175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.449 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.1 mt -134.49 116.92 22.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.795 174.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 116.71 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.5 ttm-85 -95.96 117.61 30.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.763 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -137.13 147.64 46.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.88 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 52.4 ttp180 -89.99 106.92 18.8 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -87.64 91.9 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.61 172.21 23.77 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.42 60.74 4.69 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.834 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.91 -75.7 0.1 Allowed Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.473 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.88 132.86 24.02 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 122.89 2.393 . . . . 0.0 113.711 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.0 mt-10 -84.51 154.99 22.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -151.94 149.63 29.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.5 p -134.38 144.92 48.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.608 0.242 . . . . 0.0 110.389 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -126.02 140.75 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -111.16 106.31 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -179.75 5.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 111.789 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.595 ' HE ' ' NE2' ' A' ' 111' ' ' GLN . 43.0 ttp180 -136.59 109.04 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.751 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.6 p -104.3 123.88 48.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.644 0.259 . . . . 0.0 110.972 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.595 ' NE2' ' HE ' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -90.11 148.95 22.69 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 175.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.402 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 76.1 m-85 -130.1 147.54 51.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.415 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.474 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 56.6 ttt180 -120.97 131.76 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.756 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -94.99 129.86 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.954 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.85 133.03 20.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.962 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 61.73 25.72 15.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.84 -3.2 87.43 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.502 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.511 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 41.5 mtt180 -122.26 138.47 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -173.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -88.0 144.36 26.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.837 -174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.25 142.63 47.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.87 122.49 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.615 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 16.5 m -90.85 -52.87 4.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -173.51 157.92 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 110.897 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.54 134.03 6.06 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.182 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -145.03 156.02 43.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.39 145.52 54.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.644 0.259 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.499 HG22 ' HB2' ' A' ' 109' ' ' ARG . 85.8 t -80.03 104.98 8.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.176 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.487 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 91.8 m-20 -76.38 -178.59 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 0.0 110.499 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -110.14 145.29 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.996 -172.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.1 m -68.98 78.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 122.185 0.993 . . . . 0.0 109.994 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.685 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 76.2 m -165.85 146.0 6.54 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.758 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.21 73.2 0.09 OUTLIER Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.8 p -170.88 129.6 0.78 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.01 58.63 3.93 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 3.4 mmpt? -134.01 158.63 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 44.4 p -78.61 178.64 7.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.255 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -58.92 -53.42 58.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.81 -56.37 16.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.42 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.59 -26.46 61.53 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.521 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 10' ' ' THR . 7.8 t -101.5 -82.97 0.46 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.3 m -74.98 -21.75 58.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -174.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.47 -55.66 15.92 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -169.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 46.2 Cg_endo -68.48 -26.43 34.34 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.185 1.923 . . . . 0.0 112.255 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 4.0 mm? -75.24 -47.15 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.919 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.31 -34.57 77.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.243 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.51 65.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.698 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 65.45 16.95 10.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.683 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -90.81 -23.23 20.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.588 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 49.2 ttt180 -128.76 140.23 51.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -83.07 141.63 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.97 70.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.637 0.256 . . . . 0.0 111.603 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.69 8.29 5.1 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.483 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -161.19 145.31 10.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.26 -52.26 6.89 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.829 2.353 . . . . 0.0 112.734 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -67.15 -33.1 74.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.669 0.271 . . . . 0.0 110.972 -178.505 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.533 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -62.49 -29.37 70.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -81.47 -42.69 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.14 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.505 ' HE1' HG22 ' A' ' 78' ' ' VAL . 20.5 ptt? -69.04 -31.97 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.573 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -76.84 -26.15 54.0 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.826 -177.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 32.4 p -77.39 -46.25 23.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -55.41 -50.14 70.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.105 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -52.41 -45.89 66.09 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.685 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -61.62 -32.03 72.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.225 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.0 -38.2 87.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.775 0.321 . . . . 0.0 110.649 177.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.52 62.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.514 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.52 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 92.2 mt -97.69 19.75 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.575 176.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.52 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 42.99 28.63 0.14 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.886 1.274 . . . . 0.0 113.541 177.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -103.16 85.92 2.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.448 0.642 . . . . 0.0 109.283 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 24.5 p90 -71.08 -11.63 61.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.195 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.23 -48.8 66.74 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.043 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.574 ' HH ' ' HB3' ' A' ' 18' ' ' LEU . 77.4 t80 -58.09 -34.02 69.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' CE1' ' A' ' 39' ' ' TYR . 34.9 mm -54.55 -52.46 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.207 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.45 -42.15 86.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -77.87 -3.18 40.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.429 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 p -114.81 12.53 16.99 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.162 0.506 . . . . 0.0 110.656 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 55' ' ' ARG . 35.2 m -90.65 152.08 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.415 173.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -51.32 137.5 29.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.36 -30.81 27.95 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -82.41 -46.97 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.073 0.464 . . . . 0.0 110.504 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 122' ' ' SER . 28.0 mmt180 -68.84 -24.52 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.928 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.97 -25.23 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.46 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.36 -27.06 68.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.551 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -86.09 -11.77 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' HD2' HD22 ' A' ' 64' ' ' ASN . 4.2 m-85 -89.74 170.74 10.17 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.288 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' HG21 ' A' ' 63' ' ' VAL . 31.6 t70 -169.65 147.53 3.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.074 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.16 -41.1 74.89 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.24 -49.44 71.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.621 0.724 . . . . 0.0 110.395 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 60' ' ' ASP . 6.6 t -64.36 -44.72 97.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.74 -174.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 3.6 m-20 -61.6 -36.48 80.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.513 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.582 ' HG3' ' HE2' ' A' ' 68' ' ' MET . 73.6 ttt180 -62.49 -49.34 75.76 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.85 36.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.146 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -63.15 -51.13 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.582 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 21.0 ptt? -66.45 -22.36 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.967 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 26.0 mm-40 -76.29 -39.14 55.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HG3' ' HG ' ' A' ' 71' ' ' SER . 11.6 pt-20 -86.83 -27.45 23.5 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.722 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.441 ' HG ' ' HG3' ' A' ' 70' ' ' GLU . 43.4 m -106.12 120.8 42.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 111.757 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 37.5 t70 -93.88 100.67 12.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.0 119.46 18.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -172.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -87.0 -64.98 1.06 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.793 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -156.06 150.77 26.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.8 tp -98.49 132.57 43.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.519 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.565 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 75.7 ttt180 -111.67 102.38 10.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG22 ' HE1' ' A' ' 32' ' ' MET . 96.7 t -87.08 117.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.419 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.3 mt -89.75 -56.15 3.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.836 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.61 158.88 27.37 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.267 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.4 p -142.48 159.72 41.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 111.183 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -149.38 123.47 9.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.326 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' HG3' ' CZ2' ' A' ' 119' ' ' TRP . 41.0 tt0 -86.15 121.42 28.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -110.53 54.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.03 -104.86 1.03 Allowed Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.644 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.0 m -86.23 -0.36 55.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.045 0.45 . . . . 0.0 111.058 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -134.66 166.36 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.79 164.8 33.83 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.859 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -146.2 139.06 25.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.53 135.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' HG2' HD12 ' A' ' 79' ' ' LEU . 31.7 tt0 -107.0 132.11 53.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.93 175.02 12.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.285 0.564 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.2 mt -132.81 115.4 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.408 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.34 111.81 22.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -95.4 117.24 30.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -139.97 171.75 13.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.6 ttp180 -120.06 121.89 39.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.055 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -86.03 137.46 32.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.36 -91.23 0.16 Allowed Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.334 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.75 46.13 0.21 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.249 -0.5 . . . . 0.0 111.885 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.79 -75.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.452 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.62 133.36 27.53 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.762 2.308 . . . . 0.0 112.765 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 44.5 mt-10 -87.29 171.05 10.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.027 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -161.84 148.67 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.572 170.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.453 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 15.7 p -127.68 111.73 14.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -88.76 107.64 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -93.89 101.08 13.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.088 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.15 158.02 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.413 0.625 . . . . 0.0 111.535 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -111.77 105.13 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.402 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 t -100.83 136.93 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 111.331 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.39 139.23 36.36 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.769 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -124.54 142.42 51.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.305 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -109.64 138.02 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.984 0.421 . . . . 0.0 110.346 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -88.77 104.81 17.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.291 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -114.09 120.35 40.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.438 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 61.51 23.85 14.05 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.4 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.01 66.29 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.181 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.8 mpt_? -98.23 149.03 23.01 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.407 ' CZ2' ' HG3' ' A' ' 83' ' ' GLU . 94.9 m95 -89.33 137.6 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -134.93 141.68 46.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.226 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -67.05 114.31 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.544 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 36.8 m -91.49 -54.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.803 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.84 172.66 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.842 0.353 . . . . 0.0 110.781 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.25 151.79 16.48 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -158.93 152.34 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.858 0.329 . . . . 0.0 110.563 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.22 122.01 12.12 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.328 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.36 136.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.187 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.172 -179.087 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -105.49 -156.33 0.57 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.025 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t -143.35 149.04 37.18 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.546 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.6 m -69.66 76.53 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 122.146 0.974 . . . . 0.0 109.943 173.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.825 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 72.1 m -168.11 164.46 13.48 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.371 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.39 55.21 1.97 Allowed Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 166.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -154.91 118.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.26 -17.0 67.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.271 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.9 mtpt -59.92 161.09 6.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 111.215 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.587 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.8 p -74.57 177.31 6.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.019 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -54.7 -53.35 56.06 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -56.36 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.337 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.99 -18.86 65.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.643 -174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.0 t -105.27 -76.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 111.424 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 50.4 m -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -53.65 -55.34 25.73 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 121.125 -0.559 . . . . 0.0 114.139 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 23.8 Cg_endo -62.93 -30.4 76.91 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.137 1.892 . . . . 0.0 112.377 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.12 -52.13 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.78 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 15' ' ' CYS . 32.8 mt -69.52 -21.28 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.103 -177.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.458 ' HB1' HG21 ' A' ' 22' ' ' THR . . . -82.53 -10.81 58.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.028 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.7 9.91 3.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.929 0.491 . . . . 0.0 111.49 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.458 HG21 ' HB1' ' A' ' 20' ' ' ALA . 8.8 t -79.99 -16.75 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.9 ttm-85 -151.2 141.14 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.674 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -97.66 153.34 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.984 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.47 8.12 2.7 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.116 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -150.4 137.86 11.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.73 -44.01 34.29 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.652 2.235 . . . . 0.0 112.047 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 12.4 pt-20 -66.15 -43.69 86.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.565 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -67.06 -27.11 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.514 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.93 -41.12 23.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.885 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.616 ' HE3' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.708 -178.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.565 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.79 -23.18 49.23 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 -178.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 p -77.56 -44.05 29.79 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 47' ' ' ILE . 41.1 mtp180 -62.12 -38.76 90.13 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.503 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -50.93 -48.16 60.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.245 0.545 . . . . 0.0 110.254 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.825 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -67.47 -39.23 85.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.961 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.9 81.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.169 0.509 . . . . 0.0 110.451 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.78 -37.45 79.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.803 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.84 -22.55 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.834 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.9 mt -94.79 20.07 9.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.924 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 47.99 23.93 0.56 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.494 1.118 . . . . 0.0 112.9 178.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -101.38 78.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 39.3 p90 -68.26 -19.32 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.406 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.558 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 28.2 t70 -59.83 -45.63 91.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.05 -35.46 80.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.672 0.272 . . . . 0.0 110.375 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 ' CD1' ' A' ' 39' ' ' TYR . 47.3 mm -56.29 -47.83 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.81 HG12 ' HE ' ' A' ' 56' ' ' ARG . 38.4 t -67.2 -36.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.389 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 48.1 mt-10 -61.85 -38.85 89.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.024 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -95.25 18.11 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.624 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -90.86 152.68 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 12.7 t70 -52.07 133.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 123.275 0.36 . . . . 0.0 110.376 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -41.34 -32.53 1.26 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.995 3.13 . . . . 0.0 112.532 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.01 -44.51 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.418 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 123' ' ' GLU . 16.1 mmt85 -68.69 -23.61 64.41 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.942 0.401 . . . . 0.0 110.501 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.81 ' HE ' HG12 ' A' ' 48' ' ' VAL . 39.7 ttt180 -62.29 -28.85 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.964 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.91 -25.86 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -77.25 -18.08 57.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -78.43 165.46 23.77 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -147.65 136.29 21.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.557 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -58.17 -46.55 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.885 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.34 -51.84 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.688 0.28 . . . . 0.0 110.831 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.03 -40.43 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' OD1' ' HB2' ' A' ' 44' ' ' PHE . 3.2 t-20 -62.86 -48.18 80.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.17 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.643 ' HG3' ' HE2' ' A' ' 68' ' ' MET . 19.2 ttp180 -60.16 -48.63 80.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -37.94 20.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.412 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -67.06 -51.79 50.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.067 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.643 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 25.2 ptt? -66.13 -20.0 66.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.573 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 15.7 mm-40 -68.98 -32.19 71.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.302 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -108.01 10.68 28.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 68' ' ' MET . 47.0 t -121.41 84.13 2.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.145 0.497 . . . . 0.0 110.638 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 17.8 t0 -77.06 106.49 8.79 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.65 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -77.87 126.9 31.54 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 111.693 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -106.48 -53.95 2.55 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.732 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -145.23 154.13 42.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.024 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -123.52 146.54 48.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 74.1 ttt180 -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.616 HG22 ' HE3' ' A' ' 32' ' ' MET . 61.7 t -79.41 126.11 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.051 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.426 HD11 ' HG3' ' A' ' 91' ' ' GLU . 78.1 mt -101.91 -53.04 3.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 110.934 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 90' ' ' VAL . . . -155.16 159.8 29.34 Favored Glycine 0 C--O 1.23 -0.156 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 p -153.59 139.33 17.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.723 0.261 . . . . 0.0 110.46 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 m -148.79 129.72 14.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -101.39 117.72 35.52 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -112.82 73.21 0.8 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.81 -113.62 4.66 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.561 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 p -94.83 6.07 50.05 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.956 0.408 . . . . 0.0 111.398 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.58 140.57 31.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.29 174.4 21.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.074 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.2 m -152.62 145.45 24.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.401 HG11 ' HG2' ' A' ' 32' ' ' MET . 6.3 p -141.99 134.11 27.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.11 0.481 . . . . 0.0 110.848 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' HD11 ' A' ' 79' ' ' LEU . 6.8 tp10 -100.65 125.6 47.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.929 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -146.97 172.55 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.122 0.487 . . . . 0.0 111.507 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 92.4 mt -133.86 108.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.493 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.98 113.21 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.431 HH21 ' CD ' ' A' ' 103' ' ' GLU . 35.3 ttt85 -94.7 117.93 30.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -131.61 -174.84 3.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.76 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 16.5 ttp180 -123.77 119.53 30.01 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -74.27 144.51 44.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.955 -173.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.27 81.71 0.02 OUTLIER Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.129 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.4 -29.98 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 149.38 -73.27 0.29 Allowed Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.885 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.8 159.75 51.63 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.879 2.386 . . . . 0.0 113.525 -173.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 35.6 mt-10 -75.05 166.49 23.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.34 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -157.39 145.87 19.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.614 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -102.17 148.63 25.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 4.6 t-80 -121.66 104.18 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CE1' ' HA ' ' A' ' 128' ' ' ASP . 12.0 t-160 -121.79 114.75 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -174.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 1.5 pm0 -160.17 159.78 32.08 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.724 0.773 . . . . 0.0 112.152 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -93.76 110.71 22.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.47 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 p -98.53 134.2 41.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.44 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -97.74 136.54 37.93 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.314 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -130.49 142.07 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 72.4 ttt180 -105.68 142.51 35.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.185 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -104.05 106.66 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.061 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -112.4 119.27 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.2 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 7.5 mpt_? 59.09 24.41 12.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.203 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.26 -12.81 69.02 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 113.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.6 mpt_? -93.22 147.16 23.14 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -99.19 135.29 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.16 148.44 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.745 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -72.16 123.8 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.856 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 m -101.38 -57.25 2.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.471 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 9.5 pt-20 -165.46 -176.86 4.17 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.11 169.74 42.8 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -144.47 138.88 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.702 0.251 . . . . 0.0 110.328 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 108' ' ' GLU . . . -59.03 124.1 18.79 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.402 0.439 . . . . 0.0 110.385 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.2 t -139.02 150.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -173.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 8.4 m-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.588 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HB3' HG23 ' A' ' 10' ' ' THR . 65.5 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.94 0.4 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -141.86 -171.41 3.34 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 -176.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 3.3 t -150.96 143.82 24.53 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.3 m -72.6 65.89 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 0.0 110.596 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 8.5 m -161.4 140.53 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.033 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.1 95.51 0.07 OUTLIER Glycine 0 C--N 1.332 0.335 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 p -171.64 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.715 0.293 . . . . 0.0 110.772 -174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.41 8.97 87.4 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.34 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 25.6 mtmt -104.27 163.32 12.5 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 1' ' ' MET . 78.0 p -67.53 172.99 4.46 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.373 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.565 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 51.5 t80 -60.91 -56.76 17.35 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.34 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -64.49 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.974 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.41 -56.86 11.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 109.946 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -73.66 -72.29 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.888 -176.155 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 52.3 m -73.63 -28.43 61.79 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.6 -55.19 14.36 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 114.689 0.636 . . . . 0.0 114.689 -169.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 -25.71 27.39 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.145 1.897 . . . . 0.0 112.666 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HG ' ' OG ' ' A' ' 34' ' ' SER . 4.6 mm? -75.2 -51.66 12.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.473 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD23 ' CG ' ' A' ' 46' ' ' TYR . 47.0 mt -63.39 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.645 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB3' HG21 ' A' ' 22' ' ' THR . . . -71.45 -7.58 48.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 64.71 12.86 7.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.177 0.591 . . . . 0.0 111.642 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 20' ' ' ALA . 6.2 t -90.75 -27.39 18.96 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.954 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -109.47 133.53 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 110.997 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.1 p -90.92 124.77 35.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.153 172.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.76 53.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.85 12.01 2.82 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.961 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -158.13 131.18 4.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.95 -42.3 68.23 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.876 2.384 . . . . 0.0 111.958 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 7.3 pt-20 -61.43 -45.67 93.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.397 178.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -66.2 -34.29 77.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.18 -47.68 78.89 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 68.4 mmm -62.21 -47.88 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 176.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -57.4 -34.39 68.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.346 -178.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.48 ' OG ' ' HG ' ' A' ' 18' ' ' LEU . 28.1 m -78.12 -51.53 10.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.651 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HB2' HD12 ' A' ' 47' ' ' ILE . 14.6 ptt180 -72.56 -31.07 64.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.658 -172.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -53.81 -38.04 64.16 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.488 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -64.03 -38.98 93.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.238 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CE1' HG13 ' A' ' 47' ' ' ILE . 2.4 m-30 -62.26 -47.37 84.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.013 0.435 . . . . 0.0 110.089 174.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.88 -25.6 65.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.281 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.9 mt -105.54 19.46 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.53 31.25 0.59 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.48 1.112 . . . . 0.0 113.745 176.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 29.6 t70 -102.43 79.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.9 p90 -71.31 -10.89 60.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.53 -55.52 21.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.944 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' CG ' HD23 ' A' ' 19' ' ' LEU . 69.9 t80 -60.23 -32.27 70.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.508 HG13 ' CE1' ' A' ' 39' ' ' TYR . 45.0 mm -61.76 -47.52 92.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.388 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 44' ' ' PHE . 22.0 t -63.75 -35.13 71.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.768 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -77.22 -5.53 49.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.2 p -115.78 17.8 15.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 52' ' ' ASP . 32.0 m -99.01 152.85 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.76 174.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' N ' HG21 ' A' ' 51' ' ' THR . 17.7 t70 -53.06 138.41 46.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.67 -28.06 44.91 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.88 2.387 . . . . 0.0 112.448 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.66 -52.24 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -65.01 -17.58 64.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.167 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HD2' HG12 ' A' ' 48' ' ' VAL . 21.9 ttp180 -62.72 -25.18 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.919 0.39 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.93 -29.95 70.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.28 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.6 mt -79.55 -8.27 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.66 124.52 34.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.49 147.9 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.78 -42.85 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.224 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.97 -55.11 24.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.435 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -36.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.998 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.47 -46.59 87.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.156 0.503 . . . . 0.0 109.874 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 25.9 ttp-105 -67.47 -32.97 74.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.42 -33.06 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.184 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -65.91 -47.03 76.12 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.7 ptm -69.57 -24.21 63.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.295 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.9 mm-40 -77.08 -37.9 53.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.61 -25.33 33.3 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.118 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.1 m -147.51 138.05 23.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.379 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.28 103.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 98.8 m-85 -63.59 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 -177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.42 -53.66 2.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.62 -171.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.53 146.06 32.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 -169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -118.3 148.65 42.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -142.17 109.5 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.077 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -84.17 122.62 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.8 mt -92.53 -51.36 5.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.204 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.85 161.0 28.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.957 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 p -159.15 145.46 16.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -148.15 130.52 15.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.243 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -106.45 114.98 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -110.18 68.55 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.657 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.74 -105.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.599 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.0 m -92.9 -9.52 39.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -108.55 151.75 25.68 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.86 157.96 28.19 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -150.46 142.54 24.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.34 131.72 30.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.45 132.5 49.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -149.33 179.66 7.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.201 0.524 . . . . 0.0 111.694 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 106' ' ' HIS . 41.5 mt -134.96 119.88 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.197 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.09 115.43 30.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -95.05 136.13 35.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.467 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -151.28 163.6 38.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.868 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 38.0 ttp180 -89.87 111.71 22.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -77.93 109.28 11.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.474 -172.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.94 -131.16 15.05 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.568 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.22 36.41 3.31 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.779 -0.529 . . . . 0.0 111.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -143.47 -107.06 0.58 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.701 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.49 168.17 23.18 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.845 2.363 . . . . 0.0 113.129 -173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 42.7 mt-10 -87.01 164.72 16.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.922 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -158.49 148.22 19.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.8 p -128.76 124.32 35.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.811 0.339 . . . . 0.0 110.737 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 5.5 m-70 -84.46 144.97 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -126.92 99.87 5.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.39 -177.26 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.748 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -139.95 119.27 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.2 t -104.8 134.94 47.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.451 . . . . 0.0 110.914 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.68 140.77 31.58 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.462 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 90.7 m-85 -128.51 154.22 46.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 -176.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -112.44 136.05 52.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.577 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.405 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 66.4 tttt -95.38 106.04 18.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.85 124.8 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.28 21.17 12.32 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.369 0.604 . . . . 0.0 109.734 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.03 -13.87 65.86 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.998 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -96.07 149.35 21.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.405 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 89.0 m95 -93.38 130.31 39.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.677 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 91.4 m-85 -127.33 133.25 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.559 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -57.91 123.92 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.1 m -102.17 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.106 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.4 -175.58 5.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.0 151.64 5.83 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.27 178.89 9.79 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.54 126.26 25.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.27 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.16 149.28 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.681 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.213 179.46 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.704 0.288 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -89.51 -155.37 0.35 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.4 t -145.15 154.77 42.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.548 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 17.4 m -71.58 69.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 122.095 0.95 . . . . 0.0 109.993 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.784 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 35.0 m -166.4 119.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.072 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 76' ' ' LEU . . . -60.45 81.47 0.02 OUTLIER Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.877 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.411 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 13.4 m -148.86 -31.78 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.494 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 38.35 14.74 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.027 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.8 mmmt -124.93 152.07 44.59 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.8 p -69.54 174.53 4.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.354 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -61.31 -49.31 77.52 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.04 -57.51 8.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.474 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.62 -24.29 67.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.581 -174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 29.6 t -95.82 -87.97 0.28 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.399 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 68.0 m -75.04 -21.26 59.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -174.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.12 13.74 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 34.5 Cg_endo -68.12 -26.31 36.73 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.831 1.687 . . . . 0.0 112.488 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.95 -51.88 11.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 mt -72.22 -21.28 61.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.85 -5.56 48.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.453 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? 57.18 21.45 6.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -97.42 -19.17 18.63 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 35.2 ttm180 -139.44 140.51 37.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.716 0.293 . . . . 0.0 111.048 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.5 p -90.98 131.38 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' ' 18' ' ' LEU . . . -54.8 -32.36 60.15 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.37 10.94 4.22 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.816 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 42.3 t -149.19 134.01 9.25 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.21 -49.17 14.79 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.839 2.359 . . . . 0.0 112.357 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 15.0 pt-20 -69.09 -42.42 76.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.801 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 27' ' ' SER . . . -61.59 -34.29 75.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 110.472 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.81 -43.91 43.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.232 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.454 ' HE1' HG22 ' A' ' 78' ' ' VAL . 14.8 tmm? -61.94 -50.36 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.808 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.35 -22.77 63.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.657 -175.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -77.47 -36.04 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 109.817 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -66.35 -41.45 89.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.119 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -53.99 -45.42 71.44 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.726 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.784 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -61.96 -34.4 76.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.306 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -62.36 -31.72 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.732 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.62 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 6.1 m-85 -67.66 -44.37 78.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.9 0.381 . . . . 0.0 110.515 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.27 75.03 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.382 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.515 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 88.3 mt -90.05 14.18 12.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.382 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 40.69 34.64 0.26 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.55 1.14 . . . . 0.0 113.346 178.092 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -102.92 74.77 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 170.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 49.1 p90 -71.76 -10.99 60.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.36 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.09 -50.52 73.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.18 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -55.55 -34.35 64.66 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.48 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 38' ' ' ALA . 45.1 mm -62.61 -54.08 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.391 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.1 -45.28 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.734 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.36 -38.61 77.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 p -90.11 19.77 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.546 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -101.54 147.71 26.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.742 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -50.63 137.42 24.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.636 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.85 -40.39 48.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.982 2.454 . . . . 0.0 112.668 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.5 -37.08 44.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.162 -177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 11.1 mmt85 -79.05 -24.1 43.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 110.024 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -66.12 -25.06 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.068 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.49 -30.11 69.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.154 0.502 . . . . 0.0 110.315 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.41 -23.13 58.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.01 98.5 2.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.22 150.03 23.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.664 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -58.65 -52.6 65.01 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.24 -45.34 85.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.81 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.646 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.3 t30 -65.05 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 17.2 ttt180 -73.52 -39.53 64.72 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.452 174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.12 -41.4 35.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.036 -174.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.64 -49.11 78.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.62 ' HB3' ' HD2' ' A' ' 39' ' ' TYR . 27.4 ptt? -71.32 -19.52 62.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 19.6 mm-40 -75.27 -42.68 54.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -84.72 -20.66 30.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 m -114.72 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 30.1 t70 -77.44 89.96 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.474 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.6 m-85 -58.62 128.93 39.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.172 0.51 . . . . 0.0 111.948 -172.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 97' ' ' ARG . 84.9 mt -111.66 -50.34 2.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -161.29 151.22 17.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' HB3' ' H ' ' A' ' 6' ' ' GLY . 57.9 tp -107.42 140.6 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.071 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -128.87 99.72 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG22 ' HE1' ' A' ' 32' ' ' MET . 67.6 t -81.47 121.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.332 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.52 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.6 mt -85.76 -49.6 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.964 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.33 168.8 41.44 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.44 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.5 p -157.56 152.88 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.724 0.297 . . . . 0.0 110.703 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 m -146.33 135.14 22.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.147 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.97 115.18 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.23 81.66 1.54 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.17 -111.41 4.08 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.359 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -98.49 -0.64 43.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 110.664 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -104.93 132.58 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.95 144.48 16.44 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.792 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -137.45 134.79 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.585 0.193 . . . . 0.0 110.558 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -139.05 121.85 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.225 0.535 . . . . 0.0 110.288 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' A' ' 79' ' ' LEU . 39.7 tt0 -102.05 134.32 45.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.805 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -155.28 -179.23 7.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.852 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.7 mt -133.5 118.06 29.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.706 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.2 111.34 22.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.848 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -95.03 119.78 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.406 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.6 p90 -144.23 155.23 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 110.918 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 17.3 ttp180 -90.12 126.76 35.91 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.478 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 27.2 tpt180 -69.8 101.35 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.57 -88.28 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.638 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.21 25.68 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.34 -105.47 2.45 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.766 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 89.2 Cg_endo -80.04 139.35 13.5 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.791 2.328 . . . . 0.0 113.164 -172.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.81 105.86 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.274 0.559 . . . . 0.0 109.523 174.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.0 155.04 22.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.843 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 114.79 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 111.06 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.74 130.44 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.617 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -113.86 118.84 35.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.86 169.08 17.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.564 0.697 . . . . 0.0 111.564 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -126.95 103.76 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.347 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 m -92.72 125.06 37.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.948 0.404 . . . . 0.0 110.899 -174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.578 ' N ' HE21 ' A' ' 111' ' ' GLN . 0.0 OUTLIER -104.23 132.78 50.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.809 175.557 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -113.87 139.28 49.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.861 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.466 HH21 ' CG ' ' A' ' 52' ' ' ASP . 34.8 ttp180 -103.9 127.71 51.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -80.42 106.1 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.86 126.55 55.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.156 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 61.1 23.45 13.64 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -10.06 74.25 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.4 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 1.5 mpt_? -105.5 152.99 22.34 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -90.23 136.04 33.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 87.4 m-85 -128.57 131.15 48.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.462 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.66 118.4 6.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.812 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 m -104.0 -47.72 4.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.911 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.81 132.8 15.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 111.365 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.41 81.75 0.34 Allowed Glycine 0 C--N 1.332 0.346 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.48 ' HG3' HG13 ' A' ' 127' ' ' VAL . 16.4 pt-20 -80.42 134.8 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.735 0.302 . . . . 0.0 111.078 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.33 104.3 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.48 HG13 ' HG3' ' A' ' 125' ' ' GLU . 27.3 m -110.43 155.54 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.615 178.04 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -85.3 134.44 34.12 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.5 t -83.12 132.63 35.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.163 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.5 m -66.31 77.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.001 0.905 . . . . 0.0 110.246 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.786 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 59.8 m -164.41 138.83 5.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.03 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.16 86.26 0.01 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 171.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -175.65 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.156 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.31 -10.49 73.02 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.734 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 25.3 mtmt -70.94 171.21 11.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.351 0.12 . . . . 0.0 110.745 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.528 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 52.9 p -73.22 172.28 11.42 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.702 0.287 . . . . 0.0 110.984 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.18 -53.97 52.09 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.75 -56.59 17.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.68 -32.29 65.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.384 0.611 . . . . 0.0 110.832 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.6 t -97.84 -79.96 0.46 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.856 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 57.2 m -74.09 -23.5 59.34 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.59 14.21 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 114.553 0.581 . . . . 0.0 114.553 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 42.3 Cg_endo -70.79 -26.6 22.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.04 1.827 . . . . 0.0 112.724 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.51 HD21 ' HG2' ' A' ' 17' ' ' PRO . 3.6 mm? -75.97 -47.15 26.16 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.465 -177.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD22 ' CG ' ' A' ' 46' ' ' TYR . 15.6 mt -62.15 -31.25 71.71 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.07 -16.78 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.614 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? 63.94 13.39 7.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.38 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -68.06 -31.49 71.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.121 0.486 . . . . 0.0 110.391 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 64.4 ttt180 -121.37 131.28 54.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 m -86.17 118.83 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.989 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.01 -38.52 57.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.569 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.28 12.8 5.45 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.948 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -145.78 131.27 9.29 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.83 -52.82 7.59 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.974 2.45 . . . . 0.0 112.541 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 4.5 pt-20 -66.93 -37.84 85.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.983 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.63 -40.12 86.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.22 0.533 . . . . 0.0 110.714 -178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.88 -44.88 46.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.758 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.615 ' HE1' HG22 ' A' ' 78' ' ' VAL . 17.1 tmm? -61.78 -49.27 77.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.991 -173.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.17 -27.05 66.08 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.789 -176.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -76.94 -34.26 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 175.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -64.93 -45.77 84.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.82 -44.04 66.38 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -55.58 -35.08 65.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.043 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -61.2 -36.46 79.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.536 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.49 -41.68 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.74 65.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.977 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -96.74 20.17 11.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 47.97 21.98 0.35 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.467 1.107 . . . . 0.0 113.388 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 15.7 m-20 -96.24 57.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HZ ' HH21 ' A' ' 65' ' ' ARG . 46.8 p90 -69.22 -14.03 62.73 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.697 -172.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.98 -36.05 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.23 0.538 . . . . 0.0 109.919 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.424 ' CG ' HD22 ' A' ' 19' ' ' LEU . 60.8 t80 -64.13 -32.42 73.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.745 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.5 mm -56.68 -43.04 78.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.944 177.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.81 -44.09 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.818 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.51 -27.64 57.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.584 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 p -104.62 22.74 14.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.668 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.519 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 34.4 m -99.73 150.02 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 7.1 t70 -49.25 131.7 17.0 Favored Pre-proline 0 N--CA 1.466 0.327 0 O-C-N 123.43 0.456 . . . . 0.0 110.199 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.46 -19.39 17.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.425 2.083 . . . . 0.0 111.917 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.31 -32.58 14.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 122' ' ' SER . 14.1 mmt85 -92.46 -15.53 27.0 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.723 0.297 . . . . 0.0 111.161 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 9.4 ttp180 -63.78 -21.18 66.29 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.93 0.395 . . . . 0.0 111.256 -172.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.25 -29.41 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.49 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 58' ' ' LEU . 5.1 mp -83.29 -1.74 53.96 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.211 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -95.4 128.26 42.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -122.7 145.24 48.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.873 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.01 -48.21 82.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.047 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.49 -46.3 90.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.377 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.85 -51.47 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -58.96 -39.29 81.24 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.202 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.549 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 15.0 ttm180 -61.08 -47.72 85.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -51.04 -42.45 60.5 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -59.88 -48.87 79.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.238 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.422 ' HE1' ' HB2' ' A' ' 68' ' ' MET . 20.3 ptm -71.87 -19.71 61.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.11 -177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.1 mm-40 -78.52 -42.9 28.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.628 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.494 ' HG3' ' HG ' ' A' ' 71' ' ' SER . 11.0 pt-20 -78.97 -23.85 44.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 110.978 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.494 ' HG ' ' HG3' ' A' ' 70' ' ' GLU . 17.6 m -134.5 108.5 8.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -78.95 114.92 18.29 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.62 116.26 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.53 -44.54 6.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 35.1 tt0 -142.72 142.26 31.94 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.534 -170.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.8 tp -111.37 134.49 52.91 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -125.65 98.71 5.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG22 ' HE1' ' A' ' 32' ' ' MET . 57.3 t -80.0 118.59 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.506 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.0 mt -89.28 -50.64 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.05 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.39 159.42 32.72 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 p -141.21 156.81 45.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.774 0.287 . . . . 0.0 110.725 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -152.98 119.67 5.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.418 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 31.8 tt0 -102.45 116.0 31.72 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -114.81 82.06 1.67 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.224 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.02 -75.86 0.59 Allowed Glycine 0 CA--C 1.521 0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.813 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.3 m -137.09 -17.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -95.83 133.05 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.72 164.36 25.74 Favored Glycine 0 CA--C 1.506 -0.517 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.375 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.2 m -151.03 140.48 21.49 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.5 124.48 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' A' ' 79' ' ' LEU . 35.2 tt0 -97.48 133.87 41.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.494 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -148.99 169.26 21.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.344 0.592 . . . . 0.0 111.231 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -124.52 115.42 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.926 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.0 117.82 30.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.09 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 6.1 ttm180 -94.76 126.22 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -141.15 152.91 45.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -89.33 112.44 23.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -72.87 112.71 9.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.068 -175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.0 -100.41 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.307 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.73 46.34 0.65 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -147.27 -101.55 0.28 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.904 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.16 160.85 15.43 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.839 2.359 . . . . 0.0 113.15 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -94.24 111.63 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.397 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -101.36 147.09 26.73 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -115.81 143.91 44.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.98 0.419 . . . . 0.0 111.248 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -119.4 106.31 12.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.711 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.53 104.92 17.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 125' ' ' GLU . 27.4 tt0 -131.94 145.95 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 0.0 111.274 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 37.2 ttp180 -114.79 101.65 9.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.738 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -95.84 140.11 31.09 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.23 140.43 30.15 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.748 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -126.91 157.54 39.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.948 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -120.6 134.74 55.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.103 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -92.89 106.54 18.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.244 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 127.13 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.22 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 61.04 20.52 10.95 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.36 0.6 . . . . 0.0 110.522 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.21 64.73 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.766 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.457 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 2.5 mpt_? -89.98 157.33 17.88 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.455 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 72.8 m95 -104.83 127.7 52.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.04 0.448 . . . . 0.0 110.576 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 99.0 m-85 -121.43 140.42 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.022 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 34.3 t80 -66.02 121.41 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.082 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 31.0 m -97.18 -50.6 4.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -166.1 171.63 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.18 170.23 39.34 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 12.9 pt-20 -172.81 153.75 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.252 0.221 . . . . 0.0 110.473 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.91 107.86 0.58 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.128 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.01 129.62 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.725 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.284 179.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -107.68 169.68 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.0 t -86.27 131.51 34.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.6 m -61.01 81.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 122.06 0.933 . . . . 0.0 110.075 173.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 75.1 m -167.43 168.4 13.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.878 -175.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.77 3.26 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -158.89 116.26 2.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.42 -2.66 43.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.004 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -71.41 166.85 20.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.829 0.347 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.499 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 72.1 p -71.82 -179.65 2.77 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 68.1 t80 -59.77 -50.92 71.94 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.793 172.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.24 -57.01 10.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.205 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.43 -33.09 67.55 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.24 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.48 -77.63 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.828 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 56.5 m -73.94 -21.77 59.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.84 -54.68 17.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.666 -0.519 . . . . 0.0 114.333 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 37.7 Cg_endo -67.8 -28.83 36.17 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.7 mm? -75.47 -51.16 13.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.863 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 15' ' ' CYS . 11.8 mt -69.24 -21.56 63.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' HG21 ' A' ' 22' ' ' THR . . . -71.84 -10.88 60.41 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.658 175.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 65.6 8.97 5.51 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.125 0.57 . . . . 0.0 111.403 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 20' ' ' ALA . 9.3 t -93.48 -41.46 9.77 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 73.1 ttt180 -106.24 143.13 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.276 -175.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 p -90.4 134.66 34.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.236 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 111.035 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.66 5.36 3.84 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.096 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -151.75 138.53 11.98 Favored Pre-proline 0 C--O 1.235 0.316 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.99 -43.79 40.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.558 2.172 . . . . 0.0 111.697 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.1 pt-20 -67.69 -38.67 84.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.465 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -64.71 -26.96 68.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.015 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.09 -50.5 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.357 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.613 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -61.43 -38.82 88.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -170.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.613 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -75.45 -26.28 58.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.779 -176.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -76.25 -39.98 53.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -59.48 -44.48 93.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.832 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -54.2 -46.35 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.139 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.768 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.02 -41.21 91.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.92 71.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.42 -35.04 58.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.797 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.98 17.79 3.93 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.443 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.87 24.21 0.1 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.77 1.228 . . . . 0.0 113.608 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.03 68.96 10.19 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 172.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 39.9 p90 -64.6 -12.58 46.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' HG12 ' A' ' 48' ' ' VAL . 28.5 t70 -69.1 -45.89 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.77 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.11 -32.31 72.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.344 0.592 . . . . 0.0 109.637 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 39' ' ' TYR . 40.0 mm -63.46 -53.63 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.618 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.502 HG13 ' NE2' ' A' ' 61' ' ' HIS . 12.9 p -61.18 -34.62 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 110.28 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -64.05 -38.93 92.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.642 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -91.66 18.91 6.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.4 m -99.27 152.39 19.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.0 t70 -49.56 135.4 18.42 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 122.929 0.491 . . . . 0.0 110.28 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.74 -31.38 41.28 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.764 2.309 . . . . 0.0 112.143 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.72 -41.04 31.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.058 0.456 . . . . 0.0 110.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 122' ' ' SER . 34.3 mmt180 -76.42 -25.3 54.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.925 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.7 ttp180 -60.53 -22.0 63.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.46 -177.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.56 -43.31 94.34 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.359 174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 58' ' ' LEU . 3.3 mp -88.05 -16.71 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.94 77.45 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.076 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.594 ' HB2' HG22 ' A' ' 63' ' ' VAL . 11.5 m-20 -71.38 139.56 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' NE2' HG13 ' A' ' 48' ' ' VAL . 76.4 m80 -53.65 -39.48 65.06 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.46 172.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.86 -49.79 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.276 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 60' ' ' ASP . 61.4 t -61.07 -37.79 78.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.049 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.9 -45.23 90.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.256 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.651 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 15.4 ttm180 -58.98 -55.78 30.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.94 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.72 53.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.529 ' HB3' ' HH ' ' A' ' 39' ' ' TYR . 63.8 t-105 -68.37 -48.14 65.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.973 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.9 ptt? -64.86 -23.95 67.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.379 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.7 mt-10 -75.31 -44.38 45.75 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.251 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 12.1 pt-20 -80.57 5.46 15.32 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.731 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.6 p -158.07 110.14 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -84.43 102.3 12.68 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.4 m-85 -64.19 120.93 13.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.284 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -104.41 -55.07 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.042 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.0 tt0 -147.21 134.34 20.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -102.82 140.32 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -135.69 103.65 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 109.948 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 ' HE2' ' A' ' 32' ' ' MET . 58.8 t -73.92 136.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.991 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.3 mt -111.91 -52.35 2.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.589 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.0 160.3 28.99 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.457 ' HB3' HG22 ' A' ' 90' ' ' VAL . 26.3 p -163.95 143.2 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.76 0.28 . . . . 0.0 110.957 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 m -150.76 131.67 14.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.573 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -95.99 114.72 26.46 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -102.64 58.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.519 . . . . 0.0 109.665 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.6 -99.93 0.63 Allowed Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.46 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 m -91.4 -16.92 26.63 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.791 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.24 148.42 26.99 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.73 151.3 22.65 Favored Glycine 0 CA--C 1.507 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.761 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.9 m -140.89 128.35 21.26 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 81' ' ' SER . 3.7 p -138.24 125.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.18 132.63 52.83 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -153.6 -178.23 6.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.973 -175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.86 118.09 50.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.874 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 109.3 20.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.781 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.54 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 64.5 ttt180 -95.19 113.89 25.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.505 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -137.44 162.29 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.608 -178.529 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 74.0 ttt180 -89.95 121.45 32.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -70.92 132.46 45.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.525 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.97 77.91 0.03 OUTLIER Glycine 0 C--N 1.335 0.499 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.55 -29.17 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.82 -97.9 0.12 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.297 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -80.16 -174.63 2.34 Favored 'Trans proline' 0 C--O 1.238 0.487 0 C-N-CA 123.333 2.688 . . . . 0.0 113.88 -172.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.3 mt-10 -74.07 160.85 30.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.053 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -147.59 139.78 24.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -110.82 112.37 24.18 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -103.11 132.81 49.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -126.18 115.36 19.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.687 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.17 171.71 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.439 0.638 . . . . 0.0 111.512 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 109' ' ' ARG . 33.8 ttp180 -127.79 101.46 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.178 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.489 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 42.9 m -97.46 128.7 44.45 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.093 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -91.35 143.99 26.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.747 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -129.69 156.68 43.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.291 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 113' ' ' ARG . 32.4 ttt85 -118.98 137.56 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.057 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 72.9 tttt -102.79 118.67 37.35 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.09 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.95 127.31 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.853 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 64.29 15.38 9.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.66 71.57 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.353 -0.451 . . . . 0.0 112.133 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.3 mpt_? -93.94 138.87 31.59 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 88.6 m95 -94.23 140.28 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.989 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.16 133.07 47.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.976 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.91 116.39 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 47.6 m -91.81 -45.68 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -173.25 167.25 4.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -154.09 112.7 0.54 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.993 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.95 128.98 38.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.22 106.65 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.904 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 56.7 t -86.81 120.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.915 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.295 -176.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.683 0.278 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 35.5 p30 -106.62 -169.8 1.62 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.988 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 35.8 t -126.98 147.35 50.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.99 38.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.059 0.457 . . . . 0.0 110.912 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.722 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -168.62 105.7 0.44 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.652 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.69 -93.4 0.01 OUTLIER Glycine 0 C--N 1.335 0.478 0 O-C-N 123.682 0.614 . . . . 0.0 114.078 172.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -52.19 126.78 19.85 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.117 0.567 . . . . 0.0 111.805 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 2' ' ' ASN . . . -77.88 10.34 26.33 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.96 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.6 mtmt -75.04 159.82 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 73.9 p -63.63 -178.12 0.27 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.427 0.632 . . . . 0.0 111.966 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.41 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.367 174.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 5.0 p-10 -72.94 -44.8 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.409 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.26 -34.4 70.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.777 0.322 . . . . 0.0 111.116 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 7.8 t -97.85 -80.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.622 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 m -73.53 -20.7 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -51.66 -55.18 21.47 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 -170.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 26.1 Cg_endo -63.46 -29.39 71.29 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.095 1.863 . . . . 0.0 112.274 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.753 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 3.2 mm? -75.33 -51.31 13.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.36 -32.57 73.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.979 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -8.41 57.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 59.43 19.1 7.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -93.86 -11.04 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.141 -174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 74.2 ttt180 -143.79 144.3 31.74 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.25 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 p -85.98 137.41 32.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.295 175.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.04 68.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.723 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.4 6.58 3.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.285 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.6 m -160.36 143.64 10.1 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 122.454 0.301 . . . . 0.0 110.346 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.94 -51.02 8.7 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.081 2.521 . . . . 0.0 112.636 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.7 pt-20 -60.45 -43.58 96.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.015 0.436 . . . . 0.0 110.653 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.515 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -60.75 -35.03 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.74 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 HD11 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -74.28 -51.23 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.525 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 13.0 tpt -60.45 -49.68 76.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.932 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.722 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.454 -175.491 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -72.81 -39.25 66.79 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 21.9 mtm180 -61.85 -43.37 98.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -51.99 -42.01 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 110.833 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.64 87.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.627 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -63.62 -37.44 87.33 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE1' HG13 ' A' ' 47' ' ' ILE . 14.3 m-85 -59.42 -47.93 83.57 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.006 0.431 . . . . 0.0 110.134 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.05 66.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.917 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.0 19.3 13.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.417 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.22 12.89 0.15 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.788 1.235 . . . . 0.0 113.634 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -95.0 73.06 3.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.342 0.591 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 44.5 p90 -71.97 -10.7 60.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.201 177.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.83 -53.96 48.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.348 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.753 ' HH ' ' HB3' ' A' ' 18' ' ' LEU . 32.0 t80 -56.39 -38.74 71.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.944 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' A' ' 38' ' ' ALA . 45.7 mm -57.95 -52.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.46 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -57.47 -38.41 63.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.439 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -68.54 -26.79 65.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.568 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -102.36 22.1 13.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.986 0.422 . . . . 0.0 111.329 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 52' ' ' ASP . 55.6 m -99.7 153.83 18.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 172.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD1' ' HD3' ' A' ' 113' ' ' ARG . 26.9 t70 -49.27 137.94 14.97 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.577 175.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.39 -27.22 57.19 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.975 2.45 . . . . 0.0 112.664 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -93.61 -47.24 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 9.0 mmt85 -64.55 -26.77 68.56 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.122 0.487 . . . . 0.0 110.308 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -60.79 -33.06 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.331 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.91 -23.15 65.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.4 -11.28 43.64 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.317 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -78.31 147.2 34.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.201 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -126.65 146.48 50.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.346 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -64.95 -34.63 78.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 -51.19 68.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.216 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.64 -52.45 60.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 84.4 m-20 -58.34 -37.31 74.91 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.165 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 44.2 ttm-85 -66.5 -50.63 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.275 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.11 -41.62 36.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.634 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.73 -56.9 11.08 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.834 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 ptm -64.08 -27.54 69.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.696 0.284 . . . . 0.0 111.054 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 22.8 mt-10 -81.31 -47.35 13.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.143 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 13.4 pt-20 -89.63 -9.08 50.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.217 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.0 m -136.8 110.08 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.615 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.59 108.77 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.724 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.62 118.4 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.186 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.565 HD21 ' NH2' ' A' ' 97' ' ' ARG . 10.8 mp -92.17 -62.61 1.37 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -154.53 149.57 26.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.84 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -110.66 141.75 43.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.1 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -132.82 98.87 4.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.39 127.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.86 -56.06 3.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.48 171.36 36.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.12 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.4 p -150.23 151.08 32.45 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.9 m -140.56 119.52 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.647 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -110.42 115.33 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.97 50.59 0.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.15 -114.28 4.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 p -80.8 -23.05 39.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 1.5 mmp_? -93.03 133.07 36.54 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.57 5.93 Favored Glycine 0 CA--C 1.509 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.674 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.413 ' CG2' ' HG2' ' A' ' 109' ' ' ARG . 24.6 m -129.25 148.32 51.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.98 136.01 50.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.247 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB2' ' NH1' ' A' ' 109' ' ' ARG . 36.0 tt0 -107.43 132.27 53.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.473 ' CZ ' ' HE1' ' A' ' 32' ' ' MET . 48.3 p90 -148.73 177.07 9.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 111.484 -173.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 107' ' ' HIS . 60.8 mt -133.67 110.78 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.344 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.03 112.03 23.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.94 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -94.46 113.38 25.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.364 . . . . 0.0 110.14 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -134.08 170.66 15.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.925 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.565 ' NH2' HD21 ' A' ' 74' ' ' LEU . 45.2 ttm105 -114.89 110.92 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -76.11 135.2 39.84 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.416 -174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.08 -92.1 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.914 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.56 32.98 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.59 -80.96 0.03 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.536 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.19 130.99 17.18 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.663 2.242 . . . . 0.0 112.92 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 56.6 mt-10 -87.65 144.47 26.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.7 173.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -137.41 145.45 43.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.2 p -109.58 111.39 22.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.837 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 19.7 t-160 -83.11 103.78 12.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' HB2' HG12 ' A' ' 93' ' ' ILE . 17.6 t-160 -103.82 104.35 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -136.12 -176.18 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 91' ' ' GLU . 56.3 ttt85 -136.15 101.86 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.419 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 25.1 m -92.99 134.03 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -173.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -96.64 143.59 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.525 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 86.7 m-85 -129.29 153.58 47.68 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.668 -176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.515 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 59.7 ttt180 -121.3 126.81 50.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.126 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -83.65 105.64 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.55 115.84 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.31 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 56.49 44.38 24.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.348 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.37 -20.11 28.3 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -107.93 133.66 51.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.573 0.225 . . . . 0.0 110.419 -171.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -81.39 133.42 35.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -132.33 151.86 51.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -68.54 130.28 42.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.03 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -101.31 -56.58 2.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.107 0.48 . . . . 0.0 110.48 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.17 171.68 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.934 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -150.16 126.95 2.28 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -127.4 148.44 50.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.88 111.78 10.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.935 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.47 141.73 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.899 179.2 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.709 0.29 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.01 176.65 9.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.82 127.64 37.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.834 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 4.1 m -56.4 88.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.909 0.861 . . . . 0.0 109.811 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 69.6 m -172.36 167.06 5.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.942 -175.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.37 40.67 1.99 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.4 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -154.18 123.15 6.35 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -174.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.23 -9.44 54.41 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.296 0.372 . . . . 0.0 113.211 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 13' ' ' ASP . 42.4 mtpt -52.45 158.13 1.31 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.012 0.434 . . . . 0.0 111.267 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 25.3 p -72.1 -172.16 0.84 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.03 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.01 -58.15 6.85 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 26.7 t70 -68.0 -48.47 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.116 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -55.6 -23.45 27.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 111.497 -179.533 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 8.6 t -112.11 -83.26 0.59 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 67.0 m -75.02 -21.51 59.05 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -174.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.14 -55.23 16.26 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 114.475 0.55 . . . . 0.0 114.475 -169.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -61.5 -32.03 88.07 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.243 1.962 . . . . 0.0 112.492 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 HD21 ' HG2' ' A' ' 17' ' ' PRO . 2.9 mm? -75.53 -47.06 28.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.51 -23.24 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.75 -7.57 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.093 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 60.79 15.81 6.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -86.72 3.39 45.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 25.2 ttm180 -162.43 134.82 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.058 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 p -84.27 134.19 34.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.21 92.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.83 -0.52 0.98 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.408 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -141.91 134.14 13.69 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.19 -39.11 61.25 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.477 2.118 . . . . 0.0 111.966 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 10.8 pt-20 -66.86 -45.65 77.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.179 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.22 68.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.48 -44.73 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.284 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.498 ' HE1' HG21 ' A' ' 78' ' ' VAL . 23.2 ptt? -65.83 -37.31 85.88 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -22.89 56.67 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.096 -0.641 . . . . 0.0 110.167 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 22.4 m -71.73 -40.18 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.77 -46.8 88.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.115 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -54.14 -47.56 71.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.639 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -61.37 -36.41 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.016 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.17 67.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.2 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.09 -47.06 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 177.368 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 4' ' ' VAL . . . -72.45 -13.04 61.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.44 19.66 20.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HB3' ' HE3' ' A' ' 68' ' ' MET . 0.0 OUTLIER 44.52 29.59 0.42 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.469 1.107 . . . . 0.0 113.164 179.465 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -106.07 59.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 32.5 p90 -60.75 -11.29 7.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.275 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -43.44 78.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.23 -32.25 69.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.748 0.309 . . . . 0.0 110.223 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.508 HG13 ' CE1' ' A' ' 39' ' ' TYR . 33.7 mm -55.58 -51.81 54.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.82 175.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.89 -39.33 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.33 -28.15 69.1 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.654 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -98.07 13.35 31.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -88.19 152.23 22.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.31 136.21 23.19 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.09 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.65 -24.22 17.05 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.831 2.354 . . . . 0.0 112.407 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -89.71 -45.38 9.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 122' ' ' SER . 26.1 mmt180 -70.02 -22.98 63.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.437 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -62.82 -25.0 68.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.14 -16.34 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.07 6.21 46.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.274 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.42 126.16 52.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.983 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HB2' HG22 ' A' ' 63' ' ' VAL . 21.2 m-20 -119.62 135.04 54.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.644 174.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' HB3' ' HE1' ' A' ' 44' ' ' PHE . 48.9 m80 -55.46 -37.02 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.69 -40.81 98.3 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 60' ' ' ASP . 60.9 t -68.25 -45.95 81.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.132 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.17 -35.74 77.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.279 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.648 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.7 ttp180 -61.43 -56.32 21.49 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.18 62.02 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.225 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.91 -52.88 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.762 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 16.9 ptm -71.0 -28.65 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.227 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.648 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.7 mt-10 -65.23 -37.62 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 110.854 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -96.5 4.73 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -134.98 104.13 5.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.694 0.283 . . . . 0.0 111.612 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 97' ' ' ARG . 13.7 m-20 -76.83 98.23 4.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.97 114.6 5.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 110.409 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.53 ' HB2' ' HD2' ' A' ' 95' ' ' ARG . 88.6 mt -101.96 -49.03 4.06 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.873 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' HB3' ' HE ' ' A' ' 95' ' ' ARG . 7.6 tp10 -153.4 153.6 32.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.9 134.24 54.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.523 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 41.2 ttm180 -127.19 99.79 5.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.174 0.511 . . . . 0.0 109.677 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG21 ' HE1' ' A' ' 32' ' ' MET . 63.5 t -77.02 139.26 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.543 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.64 -67.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.542 0.21 . . . . 0.0 110.853 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.84 165.3 27.68 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.237 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.8 p -151.71 152.79 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.011 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -152.29 119.93 6.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.409 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.74 115.32 28.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -108.85 53.93 0.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.354 0.597 . . . . 0.0 109.587 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.57 -114.39 3.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.102 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.8 p -92.93 1.56 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.184 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.0 tmm_? -132.53 133.49 43.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -140.83 173.58 23.1 Favored Glycine 0 CA--C 1.508 -0.348 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.756 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.5 m -146.41 140.03 26.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.6 p -140.66 135.56 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -110.81 132.46 54.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.725 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.97 176.86 11.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 95.1 mt -129.22 119.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.583 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.3 111.73 23.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.53 ' HD2' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -97.59 109.98 22.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 110.322 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -129.54 162.3 28.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.7 ttm-85 -97.32 119.89 36.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -72.18 122.88 21.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.628 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.97 -78.65 0.21 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.463 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 38.57 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -150.07 -82.43 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.401 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.25 144.29 16.3 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 53.1 mt-10 -78.94 167.81 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -158.9 142.57 15.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -126.45 113.66 17.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -91.85 104.45 16.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.097 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -84.91 100.84 11.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.1 170.43 11.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 111.278 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -131.48 102.63 6.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.447 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -101.65 135.13 43.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 110.806 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.34 138.22 35.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.836 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -122.76 150.29 42.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -110.92 126.73 55.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.109 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 76.0 tttt -91.42 110.84 22.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.2 118.19 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.205 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER 55.67 33.58 21.57 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.566 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -17.22 58.71 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.444 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.47 145.03 26.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.415 0.608 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 85.8 m95 -96.68 134.65 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.334 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -122.32 140.4 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.013 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.83 116.01 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.244 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.6 m -90.63 -54.48 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.345 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.49 162.91 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.33 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -143.22 162.1 36.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.417 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.93 115.6 19.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.88 135.89 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.393 179.005 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 10' ' ' THR . 57.7 ttp . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -64.16 174.41 1.59 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 110.362 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 3.0 t -132.25 124.8 29.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.4 m -58.63 81.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.074 0.94 . . . . 0.0 110.267 173.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.872 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 73.8 m -163.74 149.78 11.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 72.09 0.89 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.609 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.1 p -164.9 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.13 -20.28 21.71 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.965 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 26.3 mtmt -59.6 161.01 6.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.605 0.203 . . . . 0.0 110.949 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.5 p -63.73 179.03 0.53 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.908 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -55.68 -58.58 7.23 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.508 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.49 -52.97 26.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -29.6 58.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.238 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 4.3 t -98.84 -80.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.822 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 53.7 m -74.47 -21.65 59.48 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.79 -55.19 18.81 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 -170.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.8 Cg_endo -68.83 -30.84 26.27 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.086 1.857 . . . . 0.0 112.591 -176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' ' 17' ' ' PRO . 3.4 mm? -71.56 -51.88 21.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.7 mt -67.75 -27.83 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.985 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -4.93 59.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' NH2' ' HG3' ' A' ' 49' ' ' GLU . 11.1 mpt_? 63.14 2.36 1.06 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.995 0.518 . . . . 0.0 112.287 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.7 t -70.5 -16.14 62.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.96 0.41 . . . . 0.0 110.744 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 59.6 ttt180 -153.21 131.16 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.308 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 p -89.23 144.73 25.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.6 70.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.069 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.52 14.39 3.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.781 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 48.1 t -149.41 137.67 11.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.7 -47.81 12.53 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.542 2.161 . . . . 0.0 111.914 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.6 pt-20 -64.51 -44.24 91.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.529 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -63.89 -39.46 94.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.72 -38.87 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.834 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.542 ' HE2' HD23 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -63.66 -51.57 64.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.679 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -21.49 60.34 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.269 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -76.85 -37.06 56.31 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 35' ' ' ARG . 25.9 ttt180 -67.55 -42.92 81.86 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.108 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -52.14 -40.64 61.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.228 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -64.5 -31.8 73.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.388 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -61.32 -37.52 83.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.448 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 1.4 m-85 -65.57 -42.03 92.22 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.409 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.75 -26.62 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 98.6 mt -94.68 17.69 12.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.161 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.633 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.3 OUTLIER 53.41 10.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.743 1.217 . . . . 0.0 113.267 177.058 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -95.55 87.69 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.422 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 48' ' ' VAL . 46.2 p90 -72.15 -10.56 59.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.31 -56.81 17.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.46 -31.47 70.47 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 38' ' ' ALA . 50.1 mm -57.92 -50.83 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' PHE . 47.4 t -60.9 -43.98 96.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.2 mm-40 -52.9 -41.8 64.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.035 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -94.37 22.47 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -101.06 146.94 26.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.843 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.533 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 15.2 t70 -48.34 140.13 9.99 Favored Pre-proline 0 C--O 1.223 -0.296 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.204 175.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.3 -37.6 94.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.397 2.064 . . . . 0.0 112.028 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.27 -38.71 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.611 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.4 mmt180 -75.99 -29.93 58.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 110.281 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 56' ' ' ARG . 37.6 ttp180 -68.13 -25.19 65.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.692 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.49 -23.45 65.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.492 174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -96.51 -29.2 14.02 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.178 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.85 135.61 56.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 111.791 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.02 147.17 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.799 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -59.74 -48.56 81.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.141 -173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.67 -39.46 73.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.843 -176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.61 -46.69 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.518 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.38 -38.03 76.45 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.082 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.2 ttt180 -68.21 -45.06 74.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.935 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.3 -38.21 26.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.057 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.576 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 20.7 t-105 -59.51 -51.68 68.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.633 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.1 ptt? -71.23 -20.08 62.3 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.738 0.304 . . . . 0.0 111.388 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mm-40 -76.93 -27.06 54.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.768 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -105.98 -19.77 13.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.6 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -105.81 101.38 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.758 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.5 t70 -81.12 93.37 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -61.33 127.37 31.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.082 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.41 -49.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.005 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 34.8 tt0 -148.44 152.17 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 -172.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD23 ' HE2' ' A' ' 32' ' ' MET . 3.1 tm? -128.14 125.94 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -128.08 99.36 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.227 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.01 128.58 38.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.118 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.505 HD12 ' HG2' ' A' ' 91' ' ' GLU . 85.4 mt -95.09 -59.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.45 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.97 160.44 28.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.001 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.5 p -138.07 149.46 46.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.715 0.293 . . . . 0.0 110.53 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.527 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 20.9 m -149.5 118.91 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -110.93 114.5 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 74.0 mmtt -115.15 90.25 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.221 -176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.02 -92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.37 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -122.59 -4.48 8.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -105.21 132.41 51.45 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.82 159.9 19.44 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.063 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 110' ' ' SER . 87.8 m -157.07 127.84 6.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.95 129.42 60.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.161 0.505 . . . . 0.0 110.035 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' HG2' HD12 ' A' ' 79' ' ' LEU . 40.3 tt0 -100.28 134.39 43.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.774 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.82 171.68 19.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.501 HG12 ' HB2' ' A' ' 107' ' ' HIS . 71.8 mt -125.74 114.11 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.131 175.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.11 115.79 28.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.042 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.3 ttm-85 -94.82 122.78 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.8 161.83 37.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.217 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.533 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 69.4 ttt180 -89.84 111.71 22.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 116.88 11.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 -170.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.71 -79.74 0.69 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.365 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.98 45.62 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.111 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.24 -81.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.289 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.7 152.12 47.33 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.575 2.183 . . . . 0.0 112.408 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.99 158.61 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -154.81 144.14 21.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.412 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 11.8 p -120.44 111.85 18.24 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -89.84 104.33 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.512 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.501 ' HB2' HG12 ' A' ' 93' ' ' ILE . 7.1 t-160 -90.7 109.51 20.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.7 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 7.7 pt-20 -131.92 173.7 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.256 0.551 . . . . 0.0 111.018 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -131.01 103.04 6.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 89' ' ' THR . 22.9 t -93.09 135.14 34.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.663 -170.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -96.92 138.79 33.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.12 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.91 146.43 50.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.144 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -104.3 126.68 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.941 0.497 . . . . 0.0 109.81 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 63.3 tttt -91.86 110.98 22.34 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.25 135.79 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.545 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 63.21 19.74 11.85 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.78 -15.59 62.27 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.912 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -100.14 156.87 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.648 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.497 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 79.0 m95 -97.81 140.85 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.374 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.1 139.75 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.183 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -69.83 113.17 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.887 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.6 m -89.06 -45.94 9.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.168 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -177.98 147.58 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.697 0.284 . . . . 0.0 110.678 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.85 143.74 15.32 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -143.16 144.14 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.43 104.06 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.08 0.467 . . . . 0.0 110.553 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.422 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 7.4 p -85.46 144.99 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.597 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.644 -176.202 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.698 0.285 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -107.16 -158.13 0.64 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.628 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 4.4 t -144.12 138.58 28.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.4 m -68.0 78.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-O 122.208 1.004 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.739 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 71.7 m -161.79 169.64 21.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.941 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.71 48.9 2.7 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 168.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -163.53 103.54 0.94 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.07 -2.17 6.36 Favored Glycine 0 CA--C 1.521 0.427 0 O-C-N 123.305 0.378 . . . . 0.0 113.682 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.0 mtmt -61.96 165.13 5.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 0.0 111.212 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.3 p -68.55 -176.85 0.84 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.307 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.23 -56.33 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 173.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 6.9 p-10 -67.53 -49.76 61.85 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.257 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.18 -21.45 59.45 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.747 0.308 . . . . 0.0 111.494 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' THR . 3.5 t -111.21 -81.36 0.58 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.73 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -73.82 -21.5 60.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.68 -55.17 18.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 114.485 0.554 . . . . 0.0 114.485 -169.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 31.0 Cg_endo -65.24 -29.06 55.48 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.329 2.02 . . . . 0.0 112.494 -178.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD21 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.28 -51.45 13.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.06 -22.33 60.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.084 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.01 -11.04 60.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.457 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 64.55 10.23 5.69 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.303 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -89.18 -33.56 16.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.238 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 69.8 ttt180 -121.74 142.84 49.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.079 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -86.88 141.77 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . . . -54.74 -33.84 61.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.006 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.65 11.61 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.254 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 137.87 0.87 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.689 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.06 -49.56 7.85 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.815 2.343 . . . . 0.0 111.893 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.9 pt-20 -59.61 -39.95 85.9 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.192 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -60.82 -40.8 94.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.619 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD11 ' HB ' ' A' ' 50' ' ' THR . 1.6 tm? -66.94 -42.61 84.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.228 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.99 -51.75 59.96 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.4 -22.7 61.83 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.765 -173.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 m -76.47 -39.7 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.76 -43.95 94.07 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.139 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.07 -45.52 92.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.664 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.739 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . . . -60.47 -39.26 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.629 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' HB2' HD13 ' A' ' 47' ' ' ILE . . . -62.66 -35.91 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -61.77 -41.6 97.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 110.201 174.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.51 62.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 88.6 mt -97.06 17.3 17.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.154 176.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.04 19.06 0.25 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.537 1.135 . . . . 0.0 113.282 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -93.36 80.94 4.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.401 0.619 . . . . 0.0 109.911 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.455 ' HE2' ' HB3' ' A' ' 61' ' ' HIS . 46.1 p90 -72.68 -26.11 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.331 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.96 -38.06 82.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.785 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.452 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 66.3 t80 -60.71 -36.3 78.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.128 0.49 . . . . 0.0 110.327 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' HB2' ' A' ' 38' ' ' ALA . 35.8 mm -58.86 -51.95 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.69 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.5 t -53.96 -39.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.733 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.24 -38.29 90.58 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.797 0.332 . . . . 0.0 111.297 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.4 ' HB ' HD11 ' A' ' 31' ' ' LEU . 9.1 p -91.81 18.37 7.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.212 0.529 . . . . 0.0 111.379 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -97.86 150.9 20.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -48.33 132.11 13.03 Favored Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.03 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.93 -28.43 23.89 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.868 2.379 . . . . 0.0 112.325 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.66 -38.48 39.33 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 110.593 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 122' ' ' SER . 53.7 mmm-85 -81.84 -26.82 33.94 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -61.76 -35.38 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.862 -173.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.08 -24.74 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.752 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.31 -13.7 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.261 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.53 93.18 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -73.67 114.64 12.17 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.731 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 66.9 m80 -53.93 -38.83 65.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.721 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.47 -55.0 36.9 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.785 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.25 -41.36 91.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -36.83 71.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.949 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 32.4 ttp180 -78.11 -51.62 9.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.223 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.62 60.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.568 -172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -70.72 -41.29 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.091 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.9 ptt? -71.95 -22.92 61.39 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.077 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 42.1 mt-10 -64.73 -48.27 75.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.567 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.09 -15.97 59.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.026 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 m -112.62 92.67 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 111.144 -174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.34 111.53 7.62 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.5 m-85 -77.4 122.12 24.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.461 0.172 . . . . 0.0 110.873 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.44 -56.99 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 33.0 tt0 -126.0 125.3 42.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -100.75 122.63 43.7 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 168.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.538 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 21.7 ttm180 -118.18 97.43 5.79 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -82.06 109.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.754 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 mt -73.66 -44.91 55.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.352 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.78 167.42 36.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.22 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.432 ' HG ' HG21 ' A' ' 90' ' ' VAL . 45.3 m -151.4 113.32 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 m -119.72 118.85 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.59 114.52 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -110.05 83.78 1.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.64 -119.78 13.22 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.097 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 m -92.28 -0.37 57.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.8 tmm_? -116.37 131.86 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.484 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -127.12 141.94 13.07 Favored Glycine 0 CA--C 1.506 -0.497 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.104 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 m -126.41 128.17 46.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG21 ' HG ' ' A' ' 81' ' ' SER . 2.4 p -129.89 117.61 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.299 0.571 . . . . 0.0 110.303 177.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -94.84 125.54 39.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.456 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.88 176.25 9.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.534 . . . . 0.0 111.508 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 88.5 mt -133.63 117.82 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.196 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.98 108.88 20.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.553 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 41.5 ttm180 -96.01 123.17 39.5 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -141.89 145.34 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.788 -177.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH1' ' HA2' ' A' ' 100' ' ' GLY . 3.1 tmt_? -90.2 107.7 19.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 98' ' ' ARG . 1.2 ptm180 -103.73 156.2 17.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -168.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.38 -99.54 0.1 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.382 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' HA2' ' NH1' ' A' ' 97' ' ' ARG . . . -163.11 48.93 0.32 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.6 -109.8 0.31 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.969 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -79.48 164.7 23.6 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.242 2.628 . . . . 0.0 113.79 -172.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.23 123.2 31.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.523 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.74 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.1 p -122.91 112.41 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 110.637 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -94.82 125.19 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.405 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -114.68 102.46 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.505 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 3.0 pm0 -122.56 169.48 10.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 110.986 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -127.92 101.36 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.1 m -94.2 132.95 38.22 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.349 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -98.87 137.55 37.28 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.977 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.46 138.38 53.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.801 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -103.85 131.08 51.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -89.52 107.06 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.955 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.93 132.92 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 61.19 21.37 11.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.589 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.94 57.85 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.484 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -93.36 152.31 19.22 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -99.64 131.03 45.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.16 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.74 142.51 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.628 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -68.46 116.22 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.0 m -93.54 -55.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -153.83 149.86 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.507 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -137.22 86.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.649 -0.581 . . . . 0.0 111.649 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.06 139.07 30.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.537 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.46 114.4 9.49 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.403 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 5.3 p -87.05 137.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 -178.821 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' THR . 23.7 mmt . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -68.51 147.45 51.98 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.19 145.21 48.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.677 0.275 . . . . 0.0 111.522 -173.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.65 49.38 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -174.18 159.01 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 78.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 O-C-N 123.395 0.435 . . . . 0.0 113.302 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 m -161.67 119.05 2.21 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.81 50.47 2.97 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.481 -0.39 . . . . 0.0 113.026 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 29.5 mtmt -140.49 173.64 11.3 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 81.9 p -69.67 -176.99 1.13 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.848 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.58 -58.74 4.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.9 -40.42 96.46 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.85 -44.02 91.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.958 0.409 . . . . 0.0 110.684 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 10' ' ' THR . 8.5 t -87.43 -82.97 0.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 58.8 m -73.75 -20.12 60.59 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.44 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.98 -54.55 22.22 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.386 -0.674 . . . . 0.0 114.214 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.471 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -62.47 -30.69 80.3 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.479 2.119 . . . . 0.0 112.606 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.6 -51.26 24.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 110.14 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.81 -21.14 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB3' HG23 ' A' ' 22' ' ' THR . . . -79.86 -3.25 47.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.838 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 59.77 16.37 5.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.819 0.448 . . . . 0.0 111.454 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 HG23 ' HB3' ' A' ' 20' ' ' ALA . 9.8 t -93.23 -27.77 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.579 0.228 . . . . 0.0 111.417 -176.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 61.8 ttt180 -129.42 134.4 47.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.366 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 p -88.85 133.56 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.179 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.81 80.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.78 13.56 2.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.298 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 t -148.09 137.29 11.97 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.59 -49.96 13.23 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.809 2.339 . . . . 0.0 112.204 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 5.6 pt-20 -64.53 -43.23 94.67 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.977 0.417 . . . . 0.0 110.422 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.536 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -61.12 -37.23 82.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.781 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 3.2 tm? -75.58 -43.1 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.576 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.689 ' HE2' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -72.86 -35.19 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.075 -176.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -75.34 -27.12 59.09 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -177.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 20.9 p -77.31 -34.99 55.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' HG2' HD13 ' A' ' 47' ' ' ILE . 19.2 ttt180 -63.63 -43.82 95.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.249 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.88 -45.77 74.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.09 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.489 ' HB2' HD11 ' A' ' 47' ' ' ILE . . . -63.48 -36.95 85.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.85 -47.46 85.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -19.08 64.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.56 19.46 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.664 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 48.26 21.35 0.34 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.744 1.217 . . . . 0.0 112.965 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.67 58.57 5.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 109.955 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 40.4 p90 -65.13 -19.62 66.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.575 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 30.5 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.16 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -56.22 -32.86 64.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' HG2' ' A' ' 35' ' ' ARG . 31.7 mm -63.78 -52.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 60.7 t -56.21 -39.79 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.526 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 39.3 mt-10 -64.07 -40.11 95.54 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.883 177.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 p -85.09 12.82 7.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.36 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 52' ' ' ASP . 23.5 m -95.31 150.51 20.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 113' ' ' ARG . 14.9 t70 -56.58 136.83 77.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.73 -38.16 55.75 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.764 2.309 . . . . 0.0 112.341 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.31 -37.79 63.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.548 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.6 -23.53 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.7 ttp180 -68.2 -27.56 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.043 174.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.55 -5.92 19.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.271 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.7 t80 -95.87 87.76 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.196 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.0 131.67 43.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.674 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' HG22 ' A' ' 48' ' ' VAL . 79.2 m80 -58.63 -38.47 78.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.84 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.33 -51.03 65.99 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.3 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.66 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.587 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 37.5 m-80 -61.16 -43.54 98.72 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HA ' ' HE2' ' A' ' 68' ' ' MET . 18.3 ttp180 -65.75 -53.51 39.62 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -54.77 -39.91 68.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.377 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -61.13 -53.05 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.58 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -67.14 -22.97 65.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.695 -178.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 22.1 mm-40 -74.76 -37.27 62.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.4 pt-20 -94.66 -1.78 52.5 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.693 0.283 . . . . 0.0 111.366 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -138.71 99.68 3.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.801 0.334 . . . . 0.0 110.181 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 35.6 t70 -80.31 98.72 7.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.262 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 97.0 m-85 -60.83 137.29 58.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.062 0.458 . . . . 0.0 111.604 -175.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 97' ' ' ARG . 85.9 mt -122.36 -51.05 1.98 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.477 -172.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.33 149.13 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.059 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 tp -114.44 145.51 41.78 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 77' ' ' ARG . 30.1 ttt85 -138.62 99.47 3.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.689 HG22 ' HE2' ' A' ' 32' ' ' MET . 38.9 t -77.94 136.68 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.246 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 91' ' ' GLU . 75.6 mt -109.51 -58.89 1.98 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 110.968 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.79 166.99 28.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.057 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.6 p -162.59 143.65 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.747 0.274 . . . . 0.0 111.048 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -148.95 135.89 19.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.235 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 38.1 tt0 -116.64 115.32 25.47 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -109.75 50.75 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.228 0.537 . . . . 0.0 109.702 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.96 -104.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.483 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 14.6 m -85.97 -14.16 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -177.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -117.11 134.01 55.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.36 154.51 25.13 Favored Glycine 0 CA--C 1.509 -0.29 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.322 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -139.54 138.54 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' A' ' 32' ' ' MET . 5.1 p -143.34 134.81 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HB2' ' HG3' ' A' ' 109' ' ' ARG . 39.9 tt0 -110.74 136.04 50.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.396 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -156.77 171.75 19.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.0 111.049 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.504 HG12 ' HB2' ' A' ' 107' ' ' HIS . 81.0 mt -126.29 122.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.247 175.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.15 118.38 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -94.13 122.0 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.5 p90 -139.25 155.8 47.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.131 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.487 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 12.4 ttp85 -88.94 110.69 21.32 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.68 111.64 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.633 -172.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.92 -89.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.841 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -156.23 25.88 0.54 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.37 -103.85 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.589 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -85.66 157.31 10.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.047 2.498 . . . . 0.0 113.111 -175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.21 108.95 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -98.75 140.54 32.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.553 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 p -115.01 114.2 25.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.9 107.11 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.877 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.504 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.5 t-160 -103.17 120.04 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.47 176.25 10.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.116 0.484 . . . . 0.0 110.33 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.521 ' HG3' ' HB2' ' A' ' 91' ' ' GLU . 33.6 ttm180 -128.56 101.79 6.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.7 m -92.31 135.61 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.428 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 23.1 mp0 -101.31 140.5 35.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -125.67 164.98 19.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.97 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 52' ' ' ASP . 24.0 ttp180 -129.06 132.16 47.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.986 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 66.7 tttt -94.61 106.46 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.764 -173.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -117.53 123.66 46.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.11 23.19 8.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.338 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.33 67.68 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.073 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -91.18 137.16 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.454 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 83.4 m95 -91.04 128.16 36.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.838 0.352 . . . . 0.0 110.596 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 115' ' ' ALA . 86.7 m-85 -119.52 134.81 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.65 120.7 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.971 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 m -100.81 -46.13 5.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.428 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.9 pt-20 -165.93 170.32 13.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.28 31.08 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.3 138.14 9.79 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.964 0.382 . . . . 0.0 111.22 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.16 119.72 15.69 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 173.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.413 HG21 ' HB2' ' A' ' 109' ' ' ARG . 11.4 t -83.07 139.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.466 -171.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.782 -0.627 . . . . 0.0 109.897 176.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.21 150.15 43.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.915 0.388 . . . . 0.0 110.406 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 t -82.86 142.55 31.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.8 m -68.62 76.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.937 0.875 . . . . 0.0 110.263 172.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.822 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 57.7 m -166.33 139.43 3.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.706 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.88 87.22 0.02 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 p -169.19 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 0.0 110.174 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.26 -22.38 35.18 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.986 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.1 mtmt -68.38 162.38 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.481 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 32.2 p -69.57 179.15 2.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.88 -50.8 72.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.15 -56.57 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.31 -26.61 66.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.9 t -100.93 -80.66 0.49 Allowed 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 63.4 m -74.15 -21.31 59.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.35 -55.88 14.79 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.523 -0.598 . . . . 0.0 114.421 -170.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.51 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.5 Cg_endo -65.95 -30.03 48.78 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.19 1.927 . . . . 0.0 112.693 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.12 -51.5 13.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.788 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.13 -25.96 65.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -10.59 59.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 49' ' ' GLU . 6.2 mmt85 65.11 6.82 3.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.679 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -80.38 -23.1 40.7 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.253 -174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -142.24 134.11 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.732 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 m -84.98 140.1 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.108 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.85 78.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.88 9.67 3.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.148 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.9 m -148.88 136.31 10.96 Favored Pre-proline 0 C--O 1.235 0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.18 -45.11 40.48 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.635 2.224 . . . . 0.0 111.965 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.31 -42.5 96.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.47 -18.98 63.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -90.22 -47.66 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.55 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 4.4 ppp? -61.32 -42.6 98.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.14 -172.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.61 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.5 -22.97 62.59 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.377 -178.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 m -76.02 -41.88 49.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HD2' HD12 ' A' ' 31' ' ' LEU . 40.9 mtp180 -66.45 -38.71 87.97 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.032 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 73' ' ' PHE . 76.3 t80 -52.91 -47.48 67.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.393 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.822 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -63.21 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.905 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.98 88.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.546 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CE1' HG13 ' A' ' 47' ' ' ILE . 3.5 m-85 -65.18 -47.42 77.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.885 0.374 . . . . 0.0 110.498 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.35 -28.54 70.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.3 mt -98.76 17.62 18.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.614 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.93 25.07 0.09 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.589 1.156 . . . . 0.0 113.247 -179.373 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -96.89 64.47 2.03 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 29.9 p90 -67.26 -10.82 54.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.718 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.43 -50.53 71.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.433 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.12 -32.71 74.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 HG22 ' NH2' ' A' ' 35' ' ' ARG . 27.1 mm -55.35 -52.22 48.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.661 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.436 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 39.2 t -56.88 -42.76 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.62 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CD ' HH21 ' A' ' 21' ' ' ARG . 36.3 mt-10 -60.15 -42.6 95.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -91.7 21.3 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.171 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -97.65 150.74 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.66 135.05 45.2 Favored Pre-proline 0 N--CA 1.463 0.199 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.804 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.76 -35.02 67.52 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.581 2.187 . . . . 0.0 112.152 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.99 -33.62 65.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.4 mmm180 -85.26 -32.0 22.8 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.86 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.526 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 43.8 ttp180 -66.58 -20.57 66.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.941 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.81 -31.24 70.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.654 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 58' ' ' LEU . 4.2 mp -90.77 -32.7 16.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.8 m-85 -56.7 124.73 19.4 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -174.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' HB2' HG21 ' A' ' 63' ' ' VAL . 6.4 m-20 -111.16 140.19 45.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 167.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -61.37 -37.88 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.658 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.51 -37.72 88.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.701 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 60' ' ' ASP . 44.3 t -71.01 -37.1 66.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.065 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.07 -37.98 87.09 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -64.43 -46.54 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.956 174.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -52.63 -46.91 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.392 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 15.2 m0 -56.47 -52.83 63.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.425 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.614 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 10.6 ptm -66.26 -21.64 66.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.348 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -78.4 -44.0 26.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -91.03 -6.08 54.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 111.09 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -131.63 91.22 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.962 171.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.11 89.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.986 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 97.8 m-85 -58.8 114.53 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.875 0.369 . . . . 0.0 111.627 -175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.7 -61.45 1.39 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.335 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -127.5 141.71 51.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.831 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.474 HD23 ' HE1' ' A' ' 32' ' ' MET . 53.7 tp -110.38 131.91 54.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 171.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.641 ' NH2' HH22 ' A' ' 95' ' ' ARG . 26.4 ttm180 -125.5 98.19 5.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.78 130.15 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.992 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 mt -105.09 -56.5 2.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.948 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.93 164.83 31.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.167 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -159.27 152.27 22.07 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.716 0.293 . . . . 0.0 110.975 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -149.08 135.47 19.34 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.21 115.07 29.59 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -107.97 53.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 0.0 109.547 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.79 -107.79 3.33 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.991 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.558 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 71.2 m -101.68 9.17 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.784 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.511 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -138.3 133.35 32.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.404 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.82 179.56 24.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.773 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.7 m -152.39 149.96 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.423 0.289 . . . . 0.0 110.262 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.434 HG13 ' HG2' ' A' ' 32' ' ' MET . 2.4 p -146.04 124.1 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 109.982 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.45 137.47 34.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.654 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -155.08 -178.22 7.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 77.9 mt -129.52 110.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.301 174.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.69 109.17 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.873 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.641 HH22 ' NH2' ' A' ' 77' ' ' ARG . 39.0 ttm180 -97.46 138.18 35.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.48 151.45 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.216 0.531 . . . . 0.0 111.364 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -93.01 130.16 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -99.71 131.54 45.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.664 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.69 40.48 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 113.428 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.19 12.05 62.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.326 -0.464 . . . . 0.0 113.078 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.55 -99.82 1.95 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.309 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.6 155.95 65.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.808 2.338 . . . . 0.0 112.706 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -98.82 138.79 35.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.935 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -128.92 137.53 51.47 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 32.3 m -114.98 130.67 56.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.094 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -113.64 127.69 56.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -105.42 101.18 10.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.74 170.81 8.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.68 0.752 . . . . 0.0 111.419 -176.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -137.25 101.49 4.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -99.96 137.7 38.05 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.062 0.458 . . . . 0.0 111.558 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.511 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 2.0 mp0 -97.63 139.66 33.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.694 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -124.94 150.35 46.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.693 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -111.48 148.15 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 77.9 tttt -113.4 129.01 56.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.759 0.314 . . . . 0.0 110.584 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -142.16 125.82 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.192 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 4.0 mpt_? 56.34 26.52 10.71 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.4 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 93.01 -20.01 48.52 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.257 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 143.39 27.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.084 0.442 . . . . 0.0 109.896 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -97.83 141.81 30.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -130.58 141.93 50.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.526 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -71.95 118.12 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.984 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.7 m -93.8 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -143.24 139.29 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.678 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.21 106.92 0.78 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.11 167.75 13.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.447 0.299 . . . . 0.0 110.205 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.31 151.44 42.76 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 129.23 34.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.0 0.429 . . . . 0.0 111.172 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.952 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -75.69 155.87 35.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.223 0.535 . . . . 0.0 111.24 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 6.4 t -73.2 131.17 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.61 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.604 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 6.8 m -57.91 87.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.788 0.804 . . . . 0.0 109.786 172.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 97.5 m -171.64 164.0 6.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.406 -173.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.75 59.21 2.99 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 p 179.4 117.24 0.05 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.669 0.788 . . . . 0.0 109.214 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.08 10.84 8.93 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.893 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -70.49 166.32 20.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.081 0.44 . . . . 0.0 110.027 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 57.6 p -73.16 175.97 6.29 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.007 0.432 . . . . 0.0 111.436 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.03 -58.13 9.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.53 -41.68 98.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.15 -47.19 80.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.512 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.9 OUTLIER -84.8 -74.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.937 -177.02 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 55.9 m -74.14 -24.06 59.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.63 -55.27 14.24 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.558 -0.579 . . . . 0.0 114.466 -169.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.1 Cg_endo -63.83 -30.19 68.19 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.279 1.986 . . . . 0.0 112.565 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.5 mm? -75.59 -49.58 18.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.99 -25.49 64.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.01 -7.14 47.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.331 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 61.57 14.02 5.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.178 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -105.34 -6.41 19.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.575 -172.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -130.44 135.19 47.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -90.1 122.62 33.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.567 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.26 68.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.666 0.269 . . . . 0.0 111.249 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.02 7.32 2.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.503 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -150.62 136.35 10.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.1 -42.05 61.4 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.523 2.149 . . . . 0.0 112.22 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -71.87 -30.7 65.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -178.42 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -73.07 -36.32 66.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 110.668 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -75.64 -38.63 58.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.593 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.616 ' HE1' HD23 ' A' ' 76' ' ' LEU . 20.4 ptm -64.18 -50.18 69.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' N ' ' HG3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.86 -24.29 58.55 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.007 -172.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 p -72.17 -47.47 50.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -69.23 -32.36 71.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 178.39 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -51.54 -43.9 62.5 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.97 0.414 . . . . 0.0 110.657 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.568 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.846 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 47' ' ' ILE . . . -62.11 -37.43 85.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.561 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.413 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 2.1 m-85 -62.65 -41.99 99.36 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.214 175.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.38 69.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -91.01 15.12 12.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.43 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 45.58 23.41 0.14 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.459 1.103 . . . . 0.0 112.591 -178.078 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.95 85.67 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.58 . . . . 0.0 109.966 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.4 p90 -71.77 -13.61 61.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.548 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.43 -55.2 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.407 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -64.28 -32.77 74.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.977 0.418 . . . . 0.0 110.692 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 HD11 ' O ' ' A' ' 35' ' ' ARG . 51.6 mm -62.23 -53.08 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 44' ' ' PHE . 40.7 t -55.1 -41.96 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.86 -177.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.06 -31.47 71.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 p -91.59 19.39 6.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.282 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.271 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 12.2 t70 -50.08 135.56 22.02 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.171 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.72 -33.97 72.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.706 2.27 . . . . 0.0 112.127 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -78.55 -33.97 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 43.8 mmt-85 -80.19 -25.89 39.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.225 0.536 . . . . 0.0 110.141 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.42 -27.23 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.46 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.4 -44.28 95.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.196 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.62 -25.87 61.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.345 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.84 102.94 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.376 174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.47 143.45 37.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -54.61 -47.31 73.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -170.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.66 -47.8 83.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 111.097 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.23 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.357 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -58.36 -36.6 73.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 42.7 ttp180 -76.97 -46.21 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.123 178.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.88 -40.57 30.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.369 -174.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -58.21 -54.71 43.87 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.611 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 15.8 ptm -65.05 -30.28 71.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.314 -174.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 33.4 mt-10 -63.53 -29.76 70.98 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.6 10.33 21.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.738 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -135.24 76.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.673 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.58 93.18 0.15 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.356 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.451 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.9 m-85 -58.73 131.34 50.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.048 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.16 -51.12 2.64 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -150.84 148.14 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.613 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.616 HD23 ' HE1' ' A' ' 32' ' ' MET . 47.6 tp -120.11 126.89 51.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.205 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -115.44 98.67 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -82.53 126.79 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.413 HD13 ' HG2' ' A' ' 91' ' ' GLU . 68.5 mt -95.36 -60.18 1.72 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.061 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.14 29.52 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.616 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -137.17 157.48 46.57 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.688 0.28 . . . . 0.0 110.393 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.1 m -150.07 135.05 17.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.174 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.63 114.99 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -105.03 80.79 1.65 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.1 -94.42 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.563 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 m -117.4 3.42 12.52 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -128.61 133.5 48.33 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.57 175.86 18.12 Favored Glycine 0 CA--C 1.505 -0.57 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.76 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -154.39 141.05 18.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.488 HG23 ' SD ' ' A' ' 32' ' ' MET . 7.3 p -134.54 131.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.87 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' HG2' HD13 ' A' ' 79' ' ' LEU . 38.4 tt0 -100.21 138.82 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.415 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CG ' ' HE2' ' A' ' 32' ' ' MET . 26.2 p90 -154.81 179.51 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.21 0.528 . . . . 0.0 111.664 -175.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 HG12 ' HB2' ' A' ' 107' ' ' HIS . 68.4 mt -134.29 113.17 16.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.194 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.12 113.98 26.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.375 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -95.62 121.08 36.95 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.451 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.9 p90 -143.77 155.24 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.068 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.5 ttp180 -89.84 107.8 19.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -72.98 146.39 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.97 80.35 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 O-C-N 123.605 0.565 . . . . 0.0 112.194 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.64 -36.86 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.28 -69.68 0.27 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.746 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -76.09 158.74 37.82 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.752 2.301 . . . . 0.0 113.699 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.5 mt-10 -83.11 112.22 19.61 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.758 175.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -100.65 142.61 31.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.001 0.429 . . . . 0.0 110.139 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.0 p -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.5 119.19 34.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.408 ' HB2' HG12 ' A' ' 93' ' ' ILE . 16.7 t-160 -102.23 101.06 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.062 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 -176.17 3.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.502 ' HB2' HG21 ' A' ' 127' ' ' VAL . 21.4 ttt85 -136.84 104.46 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 p -92.43 131.47 37.56 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -96.83 135.77 38.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.371 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.68 159.16 25.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.391 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -122.96 142.48 50.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.727 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -105.89 113.82 27.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.196 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.14 129.69 34.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.784 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.47 19.27 11.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 109.624 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.56 63.05 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.483 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 3.8 mpt_? -93.85 157.03 16.33 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -104.9 140.14 38.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -131.79 141.95 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.088 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -70.81 117.48 12.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.685 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.4 m -97.92 -52.44 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 111.212 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -159.2 178.26 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.805 -174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -156.4 134.72 4.18 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.62 153.69 43.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 110.245 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.27 126.86 31.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.223 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 109' ' ' ARG . 95.9 t -63.83 108.36 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.238 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.862 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.719 0.295 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -101.48 173.72 6.3 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -84.58 147.89 26.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.732 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.83 45.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 110.856 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.32 133.13 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.49 85.0 0.01 OUTLIER Glycine 0 C--N 1.336 0.531 0 O-C-N 123.748 0.655 . . . . 0.0 113.732 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.524 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 23.7 m -132.93 -11.62 2.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.563 0.221 . . . . 0.0 111.244 175.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.75 24.54 69.85 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.005 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.4 mmmt -128.07 166.63 18.07 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.863 0.465 . . . . 0.0 110.325 -173.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 70.4 p -75.09 -171.99 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 176.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -75.3 -55.77 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 m-20 -58.01 -45.11 87.39 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.553 -174.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' HB3' ' HE3' ' A' ' 9' ' ' LYS . 7.2 m-20 -70.98 -40.32 71.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 41.0 t -88.02 -93.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.455 -170.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 99.5 m -74.26 -20.29 60.2 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -52.12 -54.8 24.5 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.658 -0.523 . . . . 0.0 114.361 -173.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 29.6 Cg_endo -63.47 -26.7 70.28 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.227 1.951 . . . . 0.0 112.413 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.7 mm? -75.2 -51.11 14.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.218 0.533 . . . . 0.0 109.736 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.37 -26.08 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.31 -12.52 60.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.671 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 63.55 27.76 15.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.033 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -111.42 -25.91 9.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.458 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.8 ttm180 -122.47 136.18 54.83 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.869 0.366 . . . . 0.0 111.182 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 p -87.43 133.55 33.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.268 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.55 76.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.392 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.46 18.56 6.99 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.645 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -159.16 139.0 8.63 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.06 -45.45 27.95 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.629 2.219 . . . . 0.0 112.028 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HB3' ' OG ' ' A' ' 81' ' ' SER . 7.7 pt-20 -67.51 -43.3 81.2 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.557 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.77 -19.96 65.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.997 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 50' ' ' THR . 2.6 tm? -89.86 -41.87 11.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.627 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.3 tmm? -61.45 -50.38 73.01 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.614 -173.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.455 -176.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.666 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 m -75.98 -43.62 43.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 32' ' ' MET . 34.7 ptt180 -62.65 -37.63 87.12 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.036 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 64.1 t80 -56.38 -43.81 79.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 110.211 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.85 78.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.64 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.5 85.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.774 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' HG13 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.71 -39.4 93.58 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.723 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.35 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 42' ' ' LYS . 97.7 mt -95.62 6.68 48.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.704 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 75.29 -27.38 0.19 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.283 0.633 . . . . 0.0 112.561 177.53 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.41 78.9 0.39 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.158 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -71.87 -9.82 58.88 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.02 0.438 . . . . 0.0 110.528 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.19 -45.47 53.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.685 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.44 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 75.4 t80 -60.41 -34.06 73.4 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 35' ' ' ARG . 38.2 mm -60.59 -48.2 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 109.645 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG11 ' HG3' ' A' ' 56' ' ' ARG . 25.7 t -59.46 -34.85 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.095 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -71.62 -20.27 62.0 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.707 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.492 ' HB ' HD12 ' A' ' 31' ' ' LEU . 21.2 p -113.63 22.68 13.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 111.513 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -118.02 134.77 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.54 139.06 39.77 Favored Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.125 0.266 . . . . 0.0 110.442 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.2 -34.78 40.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.042 2.495 . . . . 0.0 112.351 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.964 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -87.77 -31.47 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.229 0.537 . . . . 0.0 109.933 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HG3' HG11 ' A' ' 48' ' ' VAL . 20.4 ttt180 -60.86 -35.06 75.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.238 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.19 -33.0 74.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.366 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.5 mt -78.75 -19.87 51.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -68.49 110.53 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.15 136.83 37.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.775 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -57.07 -45.18 83.48 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.351 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.48 -51.15 70.7 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.477 0.656 . . . . 0.0 110.315 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.28 -49.19 74.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.125 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.16 -32.13 71.85 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.8 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 41.8 ttt-85 -70.47 -45.79 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.27 -37.92 49.91 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.874 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -55.73 -57.26 12.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.028 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.412 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 26.3 ptt? -67.71 -25.91 65.91 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.73 -177.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 16.2 mm-40 -63.19 -38.58 91.75 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.73 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HB2' ' NH2' ' A' ' 98' ' ' ARG . 12.7 pt-20 -113.99 18.91 16.93 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.676 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -145.1 101.76 3.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.811 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.26 107.75 17.44 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.3 m-85 -65.1 124.21 21.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.237 -175.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 96' ' ' PHE . 78.6 mt -101.03 -57.58 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 -175.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -148.35 153.02 38.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.624 -171.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -125.86 127.84 46.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -130.45 109.9 11.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.158 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.19 129.05 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 91' ' ' GLU . 77.6 mt -94.95 -50.04 5.29 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.01 158.45 29.44 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.143 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.422 ' HG ' HG21 ' A' ' 90' ' ' VAL . 44.8 m -148.17 144.11 27.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.2 m -147.35 119.21 8.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.0 124.42 43.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.924 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -117.96 90.92 3.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.55 -90.74 0.12 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.397 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -125.4 -4.18 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 111.069 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' HE ' ' HB3' ' A' ' 87' ' ' ARG . 1.7 tmm_? -114.38 133.16 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.61 166.05 25.15 Favored Glycine 0 CA--C 1.509 -0.331 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.605 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 m -146.42 143.13 28.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG21 ' HG ' ' A' ' 81' ' ' SER . 2.3 p -140.4 132.37 31.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.987 0.422 . . . . 0.0 110.753 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 79' ' ' LEU . 38.2 tt0 -104.3 139.84 38.72 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.66 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -157.85 -177.18 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 HD12 ' A' ' 79' ' ' LEU . 78.0 mt -135.88 114.52 15.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.557 176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.51 112.12 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.196 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -95.61 126.29 40.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.2 p90 -150.08 162.4 40.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.673 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -89.57 118.66 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 1.6 tpm_? -69.92 94.31 0.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.137 -175.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.14 -93.76 0.17 Allowed Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.967 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.06 26.7 1.59 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -120.01 -105.43 2.08 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.362 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -84.77 160.45 12.17 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.034 2.489 . . . . 0.0 113.141 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.46 106.74 17.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -98.33 141.41 31.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.986 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -125.32 112.62 16.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.923 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -88.9 114.97 26.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.812 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -97.12 108.96 21.8 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.94 175.42 9.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.157 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.508 ' HB2' HG12 ' A' ' 127' ' ' VAL . 40.8 ttm180 -138.14 107.91 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.468 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.43 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 14.9 p -100.75 134.05 44.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.825 0.345 . . . . 0.0 111.406 -175.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -92.19 141.63 28.37 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.729 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 31' ' ' LEU . 83.0 m-85 -126.68 146.92 50.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.843 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -117.09 133.92 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -92.27 114.22 26.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.968 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -133.27 136.07 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.154 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.87 24.63 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.333 0.587 . . . . 0.0 110.349 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.47 -18.19 53.23 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.102 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 157.0 16.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 117.017 0.409 . . . . 0.0 110.14 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -102.71 131.68 49.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.901 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.441 . . . . 0.0 110.367 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.05 117.17 16.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.597 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -96.58 -44.5 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.781 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -166.78 158.23 12.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.474 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -152.86 123.74 1.49 Allowed Glycine 0 CA--C 1.517 0.158 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.154 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.45 143.58 45.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.529 0.332 . . . . 0.0 110.921 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.88 104.34 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 109' ' ' ARG . 9.9 p -101.22 158.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.509 . . . . 0.0 112.252 -166.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.245 173.169 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -129.29 -164.25 1.38 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.4 t -148.71 129.67 14.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.582 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.8 m -59.52 84.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 122.244 1.021 . . . . 0.0 109.81 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.582 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 99.2 m -171.27 153.48 3.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.843 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.412 ' N ' ' HB3' ' A' ' 76' ' ' LEU . . . -74.49 52.92 2.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.606 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -160.87 122.63 3.04 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.62 55.89 4.46 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.459 -0.401 . . . . 0.0 113.193 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 35.0 mtmt -124.26 163.49 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 82.0 p -68.51 170.46 9.05 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 111.233 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 39.6 t80 -59.33 -52.68 64.62 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.91 -55.17 38.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.852 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.13 -50.31 71.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.525 0.679 . . . . 0.0 110.731 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.4 t -79.77 -75.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.783 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.8 m -74.54 -24.99 59.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.63 -55.2 21.32 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 47.7 Cg_endo -70.27 -26.61 25.0 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.08 1.854 . . . . 0.0 112.421 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HB3' ' HH ' ' A' ' 46' ' ' TYR . 4.2 mm? -75.32 -47.94 25.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.885 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.36 -32.02 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.49 -6.02 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.89 16.27 3.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.21 -19.51 56.59 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.824 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 63.8 ttt-85 -130.78 130.02 43.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.706 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 p -86.44 126.86 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -51.16 -37.5 46.67 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.219 0.324 . . . . 0.0 111.232 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.96 15.44 9.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.664 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 p -159.49 141.88 10.02 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.814 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.45 -49.02 6.45 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.704 2.269 . . . . 0.0 113.072 -172.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -30.08 70.74 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.686 0.279 . . . . 0.0 111.637 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -69.45 -49.07 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.172 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.525 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.2 tm? -61.24 -35.82 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.172 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.692 ' HE1' HG23 ' A' ' 78' ' ' VAL . 16.5 tmm? -64.22 -50.21 68.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.437 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.41 -28.26 62.86 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.978 -175.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 51.8 p -69.79 -44.19 70.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.253 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -72.24 -32.5 66.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 -178.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 52.5 t80 -52.33 -44.92 65.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 110.537 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.564 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -61.92 -36.72 82.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 47' ' ' ILE . . . -59.44 -36.17 75.42 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.75 -46.86 88.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.193 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.46 -17.9 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 93.5 mt -99.1 4.74 47.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 4.7 tppp? 70.53 3.38 4.48 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.247 0.546 . . . . 0.0 110.957 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.14 79.3 5.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.214 0.53 . . . . 0.0 110.557 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -72.65 -9.93 59.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.559 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.26 -51.08 70.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.718 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.428 ' HH ' ' HB3' ' A' ' 18' ' ' LEU . 52.6 t80 -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 38' ' ' ALA . 50.6 mm -62.63 -59.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.5 -35.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.658 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -67.5 -30.39 70.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.586 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.525 ' HB ' HD11 ' A' ' 31' ' ' LEU . 32.4 p -98.01 22.26 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -113.07 138.07 50.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.171 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.32 136.02 16.46 Favored Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 123.363 0.414 . . . . 0.0 109.978 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.91 -41.02 65.6 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 111.413 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.32 -28.86 67.19 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.2 mmt180 -99.25 -25.11 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.176 0.513 . . . . 0.0 110.285 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -64.13 -35.13 79.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.08 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.0 -27.12 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.138 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.6 -6.92 51.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.478 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -71.42 144.43 49.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.543 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 10.0 m-20 -118.98 129.29 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.225 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -59.56 -50.38 74.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.46 -48.01 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.035 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' A' ' 60' ' ' ASP . 78.1 t -62.88 -36.2 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.729 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' HA ' ' CE3' ' A' ' 67' ' ' TRP . 33.0 t-20 -57.68 -46.23 84.55 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.394 0.616 . . . . 0.0 109.553 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 39.0 ttm180 -66.81 -42.23 86.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.382 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.93 -37.25 60.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 24.3 m0 -57.84 -52.73 64.29 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.139 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.609 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 17.8 ptm -69.15 -31.17 69.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.699 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 18.8 mm-40 -57.68 -45.65 85.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.947 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.45 12.93 35.04 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -146.39 79.99 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.811 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.66 101.44 1.03 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.959 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 87.6 m-85 -69.74 123.06 20.44 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.71 -175.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 96' ' ' PHE . 10.8 mp -93.54 -65.45 0.99 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.053 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.43 157.66 40.25 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.68 0.276 . . . . 0.0 110.691 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 32' ' ' MET . 53.0 tp -110.23 150.4 28.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -176.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.89 103.88 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG23 ' HE1' ' A' ' 32' ' ' MET . 47.4 t -85.83 109.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.66 0.266 . . . . 0.0 110.288 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.12 -64.38 1.15 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.816 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.0 153.03 24.74 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.316 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 p -135.27 153.24 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.621 0.248 . . . . 0.0 110.544 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -147.02 119.74 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.455 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -101.32 121.58 42.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -120.9 83.17 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.191 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.98 -90.1 0.21 Allowed Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.305 -0.474 . . . . 0.0 112.582 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -125.96 2.84 7.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 110.594 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -115.25 133.13 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.97 158.07 19.38 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.879 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -150.14 131.74 14.88 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.7 131.56 50.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -105.02 129.61 53.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.12 176.16 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.398 0.618 . . . . 0.0 111.861 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.416 HG12 ' HB2' ' A' ' 107' ' ' HIS . 66.4 mt -132.18 121.89 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.557 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.38 123.15 46.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -95.35 132.8 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.7 p90 -154.34 159.67 41.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.33 115.03 26.5 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -69.64 119.16 13.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.219 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.64 -82.62 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.55 23.46 0.23 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.92 -103.28 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.282 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.06 137.07 43.14 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.899 2.399 . . . . 0.0 113.108 -170.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.95 101.45 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.203 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -96.55 145.7 25.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 6.8 p -116.16 112.15 21.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.228 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 7.1 t60 -83.25 111.59 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.142 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.416 ' HB2' HG12 ' A' ' 93' ' ' ILE . 10.1 t-160 -102.96 119.07 38.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.628 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 7.1 pt-20 -153.9 -175.98 5.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.003 0.43 . . . . 0.0 111.022 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -133.47 107.9 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.622 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 m -97.51 139.29 33.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.996 0.427 . . . . 0.0 111.31 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.92 141.34 31.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.066 175.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -128.1 148.53 50.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.634 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -120.87 131.56 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 0.0 110.386 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.99 110.1 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.63 131.13 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.188 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 61.84 21.96 12.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.631 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.67 66.84 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.825 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -102.32 156.75 17.38 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -97.72 132.85 42.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.71 0.291 . . . . 0.0 110.34 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.88 158.63 33.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.362 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -82.73 119.31 24.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.529 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 18.4 m -91.98 -45.95 8.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.32 154.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.512 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.81 130.88 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -155.12 171.37 19.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.86 0.362 . . . . 0.0 110.681 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.23 15.02 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.028 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.0 p -104.29 139.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.642 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.176 178.009 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 10' ' ' THR . 16.1 mmt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.769 0.318 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -66.46 137.3 56.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.277 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.509 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.7 t -79.95 142.04 35.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.574 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.7 m -68.13 73.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 122.229 1.014 . . . . 0.0 110.102 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.583 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 37.7 m -167.16 149.3 6.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.813 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.64 70.81 1.11 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 m -130.22 -36.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.681 0.277 . . . . 0.0 111.572 -171.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.44 22.2 78.84 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.071 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -129.54 171.55 12.47 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.564 0.221 . . . . 0.0 110.423 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.9 p -73.07 178.96 4.03 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 44.6 t80 -60.34 -50.52 73.29 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 174.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.31 -47.81 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.557 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.87 -32.14 71.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.93 -78.34 0.46 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.783 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.0 m -73.87 -21.17 60.19 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.89 -55.17 15.48 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.352 -0.693 . . . . 0.0 114.755 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 41.7 Cg_endo -68.45 -25.53 35.41 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.042 1.828 . . . . 0.0 112.442 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.8 mm? -75.44 -51.6 12.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.302 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.3 -21.89 61.28 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.541 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 22' ' ' THR . . . -72.03 -9.37 58.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.041 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 21' ' ' ARG . 11.2 mmm180 59.65 27.38 16.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.499 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.445 HG21 ' HB1' ' A' ' 20' ' ' ALA . 9.5 t -109.09 -24.56 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.436 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 14.4 ttm180 -123.81 145.9 48.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 111.48 -176.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -96.09 134.69 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.51 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.966 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.29 13.15 6.75 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.007 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -159.7 140.47 9.05 Favored Pre-proline 0 C--O 1.235 0.3 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -60.49 -42.35 41.33 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.511 2.141 . . . . 0.0 111.592 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.6 -45.84 91.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.252 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -66.47 -29.26 69.34 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.67 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 50' ' ' THR . 3.0 tm? -72.64 -47.43 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.562 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.494 ' HE1' ' CE2' ' A' ' 92' ' ' PHE . 12.0 tpt -64.81 -50.69 65.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.811 -176.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -65.72 -21.22 66.51 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.784 -174.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -76.3 -50.64 13.82 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.584 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HB2' HD11 ' A' ' 47' ' ' ILE . 21.0 ptt180 -67.31 -32.41 73.36 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.606 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -52.37 -42.29 63.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 110.471 176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.635 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -67.56 -39.06 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.672 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.054 0.454 . . . . 0.0 110.214 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.917 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -29.65 68.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.244 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 98.5 mt -84.15 8.65 14.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 176.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 66.2 mmtt 68.32 6.54 5.38 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.478 0.711 . . . . 0.0 110.978 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.97 80.3 5.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 p90 -72.1 -11.84 60.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.75 -49.26 78.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.013 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 88.2 t80 -64.38 -32.77 74.52 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.358 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.3 mm -62.2 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.04 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 44' ' ' PHE . 95.5 t -54.85 -45.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.336 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.524 ' HB ' HD13 ' A' ' 31' ' ' LEU . 20.6 p -83.1 10.03 9.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.938 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -98.55 147.91 24.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.7 t70 -50.21 134.6 23.44 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 123.854 0.721 . . . . 0.0 110.473 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.71 -27.29 33.19 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.15 -43.0 18.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 122' ' ' SER . 32.9 mmt180 -78.56 -19.41 52.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.02 -26.81 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.747 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.99 -23.84 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.688 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.22 -12.48 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.241 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -76.89 158.58 30.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.188 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -156.07 141.07 17.29 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.31 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -53.46 -44.71 69.15 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.756 -175.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.26 -55.18 36.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.417 0.627 . . . . 0.0 110.966 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.95 -43.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.145 -170.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -63.6 -39.29 94.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.487 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 10.6 tpt180 -62.5 -55.74 24.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.42 -46.48 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.815 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.76 -51.51 68.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.482 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.539 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -71.15 -18.25 62.51 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.741 0.305 . . . . 0.0 111.124 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.2 mm-40 -76.77 -55.28 5.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -82.56 -27.22 31.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.638 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.9 m -105.22 93.35 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 0.0 110.362 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.99 121.14 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.48 114.64 14.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.877 0.37 . . . . 0.0 111.261 -175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.8 -54.78 3.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.3 tt0 -148.08 149.08 31.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.313 -167.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 77' ' ' ARG . 3.3 tm? -127.18 137.0 52.84 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' N ' HD11 ' A' ' 76' ' ' LEU . 38.2 ttm180 -142.44 109.07 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 110.685 -176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.2 t -80.34 126.67 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.093 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.8 mt -96.65 -48.1 5.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.142 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.79 138.86 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.093 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -123.9 141.08 52.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -148.03 145.77 28.61 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.303 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -130.01 135.68 48.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.256 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -128.94 65.14 1.45 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.46 -104.07 1.3 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.947 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 m -96.81 5.48 50.5 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 111.281 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.436 HH11 ' HB2' ' A' ' 113' ' ' ARG . 19.4 tpt180 -136.41 139.11 42.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.93 175.72 27.11 Favored Glycine 0 CA--C 1.508 -0.349 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.265 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.6 m -151.45 142.94 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.52 126.54 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.12 0.486 . . . . 0.0 109.913 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.88 132.81 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.494 ' CE2' ' HE1' ' A' ' 32' ' ' MET . 41.2 p90 -155.96 179.0 9.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.379 0.609 . . . . 0.0 111.499 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.93 117.34 47.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.892 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.87 109.6 22.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.513 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 78.3 ttt180 -95.24 122.2 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.965 0.412 . . . . 0.0 110.227 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -143.42 169.78 17.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.155 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 54.1 ttp180 -89.76 122.01 32.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 3.5 tpm_? -82.15 79.72 8.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.249 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.03 -150.05 38.61 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.424 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.16 93.8 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.205 -0.522 . . . . 0.0 113.011 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.49 -80.93 0.35 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.292 -0.48 . . . . 0.0 113.573 173.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -69.18 155.68 67.14 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.173 2.582 . . . . 0.0 113.489 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 65.3 mt-10 -98.01 171.55 8.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 174.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -161.41 146.45 13.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.242 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 p -129.2 111.84 13.32 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -85.65 107.49 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.359 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -91.43 101.11 13.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.54 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.23 166.09 15.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 111.096 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -132.89 101.26 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.433 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 73.6 m -107.64 141.27 39.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.242 0.544 . . . . 0.0 112.016 -171.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -97.94 143.25 28.72 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.251 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -127.24 140.85 51.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.485 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.436 ' HB2' HH11 ' A' ' 87' ' ' ARG . 22.2 ttp180 -109.52 138.94 45.14 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HE2' ' HA2' ' A' ' 117' ' ' GLY . 78.5 tttt -95.71 122.87 38.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.262 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.07 132.55 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.845 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 62.51 17.12 9.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.219 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.51 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 91.71 -14.79 63.17 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.224 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.52 148.34 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -98.3 136.77 38.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -125.42 136.0 52.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.169 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -62.79 112.54 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.207 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 56.3 m -95.4 -31.8 13.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.794 -173.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 178.6 159.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -151.05 146.69 15.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.85 164.37 36.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.72 115.51 19.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 p -57.96 108.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.257 0.551 . . . . 0.0 111.121 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.628 179.807 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.746 0.307 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -82.53 -166.63 1.34 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -131.05 137.43 49.15 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.681 -177.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.77 -14.85 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.853 0.461 . . . . 0.0 111.926 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 34.4 m -64.87 173.17 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.734 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.53 54.21 2.84 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -160.88 114.68 2.05 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.7 -9.7 59.49 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.974 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 22.0 mtmt -59.78 159.55 8.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -67.63 172.56 5.04 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.052 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -51.36 -55.7 17.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.247 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.4 -54.03 19.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.756 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.13 0.491 . . . . 0.0 110.971 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' O ' HD21 ' A' ' 18' ' ' LEU . 2.0 t -93.2 -75.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.093 176.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 m -74.63 -26.57 59.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.23 15.23 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.637 0.615 . . . . 0.0 114.637 -168.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 58.0 Cg_endo -72.29 -25.28 18.78 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 122.021 1.814 . . . . 0.0 112.683 -178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 14' ' ' CYS . 3.8 mm? -75.57 -50.73 14.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.14 -30.8 69.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HD2' ' HD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 60.08 20.27 9.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.285 -176.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -84.55 -16.01 43.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 77.3 ttt180 -134.21 130.22 36.88 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 p -85.54 120.57 27.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.385 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 18' ' ' LEU . . . -55.11 -37.38 66.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.678 0.275 . . . . 0.0 111.154 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.84 15.72 8.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.942 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.3 t -146.95 137.52 12.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.14 -46.38 12.99 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.557 2.172 . . . . 0.0 111.818 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.0 pt-20 -62.57 -46.44 88.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -62.25 -40.49 96.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 50' ' ' THR . 3.3 tm? -70.6 -41.13 72.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.571 ' HE2' HD12 ' A' ' 76' ' ' LEU . 15.8 tmm? -62.57 -51.05 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.794 -175.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -74.83 -20.89 59.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.835 -175.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.5 m -72.59 -46.81 52.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.293 173.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' MET . 1.7 ptm180 -69.15 -34.7 75.41 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.627 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 34.0 t80 -51.38 -42.07 61.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 110.592 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -58.82 -33.44 70.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.792 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 43' ' ' ASP . . . -58.87 -37.63 76.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 8.3 m-85 -63.69 -44.51 93.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 110.419 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.4 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 89.8 mt -99.22 15.64 25.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.682 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.1 OUTLIER 51.33 14.96 0.26 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.397 178.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.7 t70 -102.78 92.27 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.45 -13.63 61.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.219 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.9 -51.98 66.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.545 0.212 . . . . 0.0 111.011 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.424 ' HD1' ' HD2' ' A' ' 21' ' ' ARG . 32.3 t80 -61.56 -32.59 72.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 110.478 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 35' ' ' ARG . 44.7 mm -61.13 -56.14 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 44' ' ' PHE . 54.9 t -51.31 -45.65 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.611 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.85 -28.36 69.97 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.104 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 ' HB ' HD13 ' A' ' 31' ' ' LEU . 30.1 p -101.05 22.67 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.362 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.3 m -103.61 148.75 25.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.724 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 10.0 t70 -49.19 135.12 15.92 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.09 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.72 -33.77 71.46 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.47 2.114 . . . . 0.0 112.124 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.8 -12.88 55.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.536 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 36.5 mmt180 -101.03 -31.69 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.014 0.435 . . . . 0.0 110.413 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.733 -173.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 -30.7 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -84.06 -23.53 30.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.86 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.26 126.3 26.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.32 145.14 40.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.108 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -61.78 -49.8 74.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.07 -42.21 99.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.504 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.65 -43.11 98.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.513 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -40.77 98.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.408 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.578 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.3 ttp180 -64.42 -48.43 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.109 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.92 -35.67 46.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.327 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.46 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 2.1 t-105 -59.65 -53.41 58.31 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.669 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.5 ptt? -71.75 -21.87 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 38.2 mt-10 -74.24 -35.69 63.85 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.465 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' TRP . 16.2 pt-20 -85.19 -7.88 58.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.865 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 p -158.42 107.05 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 111.327 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.99 109.58 14.56 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.8 m-85 -74.99 116.47 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.943 0.401 . . . . 0.0 111.913 -174.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -90.06 -56.43 3.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.746 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 38.5 tt0 -141.89 147.23 36.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.422 -167.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.627 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.1 tm? -117.89 142.36 47.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.906 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' N ' HD13 ' A' ' 76' ' ' LEU . 34.8 ttm180 -140.83 102.11 4.21 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.235 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.25 129.34 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.494 HD11 HG13 ' A' ' 93' ' ' ILE . 78.0 mt -99.55 -50.17 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.605 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.45 161.35 29.14 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p -153.19 117.48 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.985 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 23.8 m -103.92 134.42 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.227 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.23 114.88 19.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.561 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 70.9 mmtt -117.26 51.08 1.04 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.257 0.551 . . . . 0.0 109.965 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.53 -97.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.876 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 18.0 p -92.2 -1.32 57.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.491 -175.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.583 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.0 tmm_? -144.11 142.24 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.583 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -153.77 -178.09 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.4 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -152.57 148.83 27.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -139.78 125.84 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.081 0.467 . . . . 0.0 109.852 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.87 132.52 50.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.085 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.0 177.31 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.494 HG13 HD11 ' A' ' 79' ' ' LEU . 78.8 mt -123.16 115.95 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.567 175.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.42 116.38 28.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.008 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.504 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 55.0 ttt180 -94.99 116.79 29.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.421 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -136.61 175.71 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.319 0.581 . . . . 0.0 111.66 -177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 47.9 ttt180 -114.38 107.51 15.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.2 ptt85 -80.13 149.5 30.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.821 0.343 . . . . 0.0 110.775 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.26 -89.28 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -172.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.03 19.47 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.29 -79.57 0.13 Allowed Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.542 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.65 137.47 20.35 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.505 2.137 . . . . 0.0 112.799 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.8 mt-10 -76.73 155.48 33.2 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.807 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -161.22 146.41 13.91 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 p -106.35 150.76 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.846 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.64 104.82 7.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.071 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.462 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.9 t-160 -93.0 105.35 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.976 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.462 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 6.0 pt-20 -129.18 -177.62 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 111.445 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -134.35 107.14 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.821 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 m -98.98 126.9 44.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 111.408 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.96 143.12 27.28 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.953 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -134.39 142.19 47.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.736 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 ttm-85 -104.64 148.93 26.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 78.8 tttt -105.29 122.77 46.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.861 0.362 . . . . 0.0 110.682 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.43 139.73 27.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 63.78 10.43 5.14 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.364 0.265 . . . . 0.0 111.157 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.59 67.07 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -90.44 158.2 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -109.05 141.87 40.57 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.55 134.57 47.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.601 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.97 116.12 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.207 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 51.1 m -91.26 -50.14 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.622 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.44 150.8 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.11 156.56 25.64 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.4 pt-20 -163.65 146.84 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 110.833 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.84 107.71 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.139 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.462 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 11.8 p -76.5 146.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.554 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.106 -179.026 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.19 -179.47 1.27 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.684 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 2.5 t -131.13 132.18 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.558 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.514 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.1 m -63.65 80.78 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 122.095 0.95 . . . . 0.0 110.032 173.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.629 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 84.6 m -165.73 144.39 6.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.594 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.83 74.23 0.25 Allowed Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 p -174.23 134.56 0.43 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.04 57.14 3.97 Favored Glycine 0 C--N 1.329 0.151 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -124.4 156.64 36.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.702 0.401 . . . . 0.0 110.94 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.2 p -79.58 169.66 17.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.135 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 t80 -57.61 -54.12 50.4 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.768 0.318 . . . . 0.0 110.266 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.94 -53.52 20.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.97 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -53.52 -31.77 47.6 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.425 0.631 . . . . 0.0 110.663 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.7 t -94.04 -80.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.517 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.1 m -73.79 -21.47 60.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.64 -55.75 23.66 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 120.848 -0.691 . . . . 0.0 114.376 -170.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 56.5 Cg_endo -71.75 -25.31 20.53 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.151 1.901 . . . . 0.0 112.565 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.7 mm? -75.51 -51.5 12.81 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.84 -11.16 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.286 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 62.08 14.63 6.69 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.999 0.428 . . . . 0.0 110.886 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -99.28 -33.28 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.109 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.528 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 39.6 ttm180 -115.1 132.78 56.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.922 0.391 . . . . 0.0 111.245 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -83.75 132.96 34.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.325 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . . . -59.68 -28.15 67.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.65 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 60.29 14.48 4.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.883 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 139.56 6.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.75 -53.44 4.49 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.937 2.424 . . . . 0.0 112.887 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 4.8 pt-20 -60.7 -40.12 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.181 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . . . -60.65 -41.35 94.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 110.855 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.16 -41.48 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.747 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.52 ' HE2' ' CZ ' ' A' ' 92' ' ' PHE . 12.9 tpt -65.58 -50.11 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.373 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -70.22 -21.83 62.97 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.499 -176.332 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -71.65 -41.48 68.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 33.9 mtm180 -63.08 -39.03 93.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.5 -46.74 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.6 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.629 ' HB1' ' SG ' ' A' ' 5' ' ' CYS . . . -62.71 -34.85 78.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.27 96.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.45 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.32 -37.55 85.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.184 177.474 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.35 66.96 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.508 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.26 16.89 22.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.229 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 45.36 21.62 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.257 1.023 . . . . 0.0 112.522 -175.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 61.39 5.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.199 175.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.4 p90 -63.18 -16.12 59.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.151 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.27 -39.92 61.05 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.87 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 59.5 t80 -70.73 -32.39 69.56 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.705 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 39' ' ' TYR . 38.0 mm -63.17 -48.66 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.504 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.35 -34.28 69.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.181 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -62.56 -25.01 67.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.574 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -109.43 23.05 15.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 111.22 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 m -99.06 150.82 21.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.335 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 11.8 t70 -52.93 136.96 46.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.278 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.48 -33.35 46.89 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.934 2.423 . . . . 0.0 112.419 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.01 -47.16 16.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.748 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 13.5 mmt180 -70.77 -25.91 63.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.852 -175.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -59.34 -26.8 65.35 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.84 -32.36 70.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.143 0.496 . . . . 0.0 110.238 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.4 -20.86 43.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.798 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.97 120.81 17.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.022 0.439 . . . . 0.0 111.452 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -120.23 140.19 51.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.825 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.92 -42.01 95.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.729 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.62 -37.94 85.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.737 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.47 -46.22 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -57.5 -40.83 79.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 78.8 ttt180 -63.35 -46.14 87.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.481 177.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.66 -175.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -66.51 -43.02 86.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.5 ptt? -70.81 -19.54 62.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.328 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 32.8 mm-40 -78.41 -42.51 29.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.593 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.27 -8.3 59.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.227 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -143.83 107.06 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 111.74 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.08 109.87 19.14 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.4 m-85 -71.52 116.75 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.842 0.354 . . . . 0.0 111.656 -174.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.18 -50.27 6.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.012 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -157.85 150.19 22.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.0 tp -104.36 145.91 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.834 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.448 ' HD2' HD12 ' A' ' 93' ' ' ILE . 55.0 ttm-85 -130.85 99.05 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.89 128.14 39.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.53 -59.3 1.74 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -136.91 153.52 21.78 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.262 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 p -156.82 138.93 14.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.2 m -150.39 125.32 9.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 33.7 tt0 -98.12 117.4 32.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 170.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -112.56 83.72 1.86 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.182 0.515 . . . . 0.0 110.043 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.91 -91.95 0.61 Allowed Glycine 0 CA--C 1.518 0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.498 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -127.69 11.69 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.274 0.559 . . . . 0.0 110.703 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.416 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 2.1 tmt_? -139.31 133.64 31.47 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.1 171.81 23.2 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.77 -175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.1 m -149.06 144.39 26.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.01 127.06 23.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.165 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.3 139.5 39.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.4 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CZ ' ' HE2' ' A' ' 32' ' ' MET . 29.7 p90 -156.67 -177.85 6.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.003 0.43 . . . . 0.0 111.049 -174.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.448 HD12 ' HD2' ' A' ' 77' ' ' ARG . 90.0 mt -134.62 117.14 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.183 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.71 114.56 27.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.434 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -95.25 114.65 26.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.3 p90 -138.83 159.52 41.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.444 -177.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 50.0 ttp180 -90.32 120.03 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 100' ' ' GLY . 45.6 ttt-85 -70.12 138.22 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.66 83.74 0.01 OUTLIER Glycine 0 C--N 1.334 0.463 0 O-C-N 123.602 0.564 . . . . 0.0 112.431 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' ARG . . . 165.65 -27.58 0.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 -177.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 147.14 -61.27 0.46 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.521 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.38 135.88 52.27 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.725 2.283 . . . . 0.0 113.381 -173.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 36.6 mt-10 -77.44 121.61 24.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.773 173.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -110.59 141.59 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.951 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.3 p -118.81 111.86 18.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -100.33 128.27 46.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -104.94 103.82 13.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.41 174.08 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.374 0.607 . . . . 0.0 111.245 -177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -136.61 118.46 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.272 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.5 m -105.21 128.95 53.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.416 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.5 mp0 -95.62 141.14 29.48 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.703 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.414 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 75.9 m-85 -129.29 146.6 51.16 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -176.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -103.57 136.34 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.625 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -99.95 114.56 27.9 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.927 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.9 20.92 11.18 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.385 0.612 . . . . 0.0 109.794 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.24 51.76 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.27 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -88.62 144.1 26.51 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.439 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 79.0 m95 -92.76 128.6 38.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.688 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -122.12 144.14 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.024 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.84 124.73 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.4 m -98.21 -63.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.405 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.43 151.6 29.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.859 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.01 140.84 7.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.153 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -160.93 174.15 14.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.72 136.73 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.102 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.6 p -95.04 146.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.332 . . . . 0.0 110.841 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.398 179.541 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.641 0.258 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.3 m -79.67 34.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -158.71 159.63 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.411 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.89 79.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.603 0 O-C-N 123.767 0.667 . . . . 0.0 113.892 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' CYS . 20.0 m -161.86 120.51 2.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.52 58.0 1.62 Allowed Glycine 0 C--N 1.334 0.424 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.6 mmmt -143.31 172.03 13.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.404 0.681 . . . . 0.0 109.591 -169.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.6 p -78.47 -177.05 5.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 174.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.88 -55.98 12.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.61 -56.62 19.1 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.549 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.06 -23.46 65.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.859 0.361 . . . . 0.0 111.569 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 14.3 t -98.91 -84.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.872 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 55.2 m -73.67 -21.1 60.37 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -55.11 -55.22 29.29 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.696 -0.502 . . . . 0.0 114.15 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.611 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 20.2 Cg_endo -61.46 -30.04 86.09 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.463 2.109 . . . . 0.0 112.591 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.3 mm? -74.76 -51.33 14.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.119 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 38' ' ' ALA . 19.9 mt -67.3 -22.06 65.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.23 -6.14 54.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.751 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 59.19 21.81 9.94 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -101.81 -30.3 11.36 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.611 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 75.5 ttt180 -127.27 140.42 52.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.724 0.297 . . . . 0.0 110.989 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -82.81 140.69 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.313 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.05 74.69 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.633 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.57 14.78 7.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.056 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 t -160.3 141.95 9.3 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.36 -48.31 11.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.681 2.254 . . . . 0.0 111.764 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.505 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.8 pt-20 -63.97 -42.81 97.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.229 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.5 -34.71 72.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -75.09 -42.96 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.765 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -61.59 -52.33 64.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.97 -173.422 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -72.86 -21.85 60.87 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.96 -173.267 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 63.2 m -74.32 -39.24 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG3' HD13 ' A' ' 31' ' ' LEU . 12.5 mtm180 -65.54 -41.3 93.2 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.058 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 46.8 t80 -51.73 -41.93 61.9 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.775 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.52 88.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.587 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.1 -34.5 77.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.72 -45.54 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.314 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.57 65.14 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.856 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.74 16.34 23.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.595 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HB3' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.06 23.82 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.525 1.13 . . . . 0.0 113.475 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.27 67.03 10.01 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.6 p90 -70.91 -15.59 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.79 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 34.3 t70 -59.92 -49.13 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 63.4 t80 -57.43 -42.0 81.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.563 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 38' ' ' ALA . 40.2 mm -55.0 -58.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.858 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' PHE . 64.3 t -53.1 -46.42 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.179 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 49.2 mt-10 -57.78 -40.68 80.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.433 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -94.5 22.02 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.189 0.519 . . . . 0.0 111.429 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' ARG . 61.8 m -100.19 151.06 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.865 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.48 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 14.4 t70 -47.18 138.97 7.64 Favored Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.874 0.734 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.14 -36.88 47.13 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.881 2.387 . . . . 0.0 112.277 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.29 -45.92 44.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.8 mmt180 -74.82 -25.11 58.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.321 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 56' ' ' ARG . 34.3 ttp180 -62.38 -30.64 71.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.652 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.81 -23.02 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.659 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.53 -14.38 43.19 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.314 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -79.33 152.4 30.48 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.45 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -140.6 142.96 35.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -52.25 -50.68 61.57 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.342 0.401 . . . . 0.0 111.81 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.24 -39.37 65.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.16 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 67' ' ' TRP . 93.2 m-20 -62.5 -35.86 80.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.329 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 38.3 ttm-85 -73.37 -35.29 65.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.514 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.07 -41.25 34.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.343 -173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 64' ' ' ASN . 4.9 m-90 -60.68 -49.07 79.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 42' ' ' LYS . 22.8 ptm -68.55 -27.0 65.69 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.987 0.422 . . . . 0.0 110.689 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 14.1 mm-40 -64.67 -31.64 72.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.173 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 13.4 pt-20 -110.71 -19.82 12.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.8 m -123.69 101.08 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.7 t70 -75.4 110.9 10.15 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.698 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -72.97 114.41 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.701 0.286 . . . . 0.0 111.464 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.62 -61.15 1.66 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -148.11 148.68 30.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.069 0.461 . . . . 0.0 111.121 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -114.48 131.37 56.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -132.5 105.54 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -76.55 140.47 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 91' ' ' GLU . 52.8 mt -102.06 -46.84 4.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.151 0.5 . . . . 0.0 110.199 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.98 162.73 32.83 Favored Glycine 0 CA--C 1.517 0.185 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.397 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 90' ' ' VAL . 41.3 t -163.81 148.97 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.03 0.415 . . . . 0.0 110.562 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -153.89 130.46 10.67 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 34.3 tt0 -96.86 128.15 43.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -125.16 78.18 1.69 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.204 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.02 -79.21 0.1 Allowed Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.344 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 11.0 p -124.74 -4.04 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.34 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -120.78 133.33 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.78 156.57 18.82 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.207 -0.521 . . . . 0.0 111.888 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.3 m -147.22 132.85 18.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 81' ' ' SER . 5.2 p -139.71 125.51 21.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.221 0.534 . . . . 0.0 111.378 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 79' ' ' LEU . 9.7 tp10 -92.44 132.3 36.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -151.61 170.4 19.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.66 0.743 . . . . 0.0 112.608 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.464 HG12 ' HB2' ' A' ' 107' ' ' HIS . 57.2 mt -132.82 119.65 38.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.21 173.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.54 114.38 28.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -95.0 118.3 31.58 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.135 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -139.03 151.73 47.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.59 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 9.3 ttp180 -89.38 107.29 18.98 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 102' ' ' PRO . 46.9 ttt85 . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.959 -174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 48.8 Cg_endo . . . . . 0 CA--C 1.533 0.441 0 N-CA-C 113.82 0.662 . . . . 0.0 113.82 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 34.0 mt-10 -97.57 113.53 25.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.358 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -105.57 149.0 26.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.9 p -125.23 118.8 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.121 0.486 . . . . 0.0 110.589 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -90.67 105.17 17.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.646 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 93' ' ' ILE . 13.9 t-160 -97.97 119.09 35.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 24.4 pt-20 -162.45 172.23 15.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.091 0.472 . . . . 0.0 111.254 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 109' ' ' ARG . 34.3 ttp180 -119.29 117.99 30.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.035 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.437 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 68.1 m -103.91 134.74 46.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.397 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.54 142.07 27.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.415 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.24 144.33 50.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.047 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -108.0 133.98 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 73.0 tttt -96.43 122.11 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 120' ' ' TYR . . . -131.06 122.47 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 116' ' ' ARG . 4.3 mmp_? 56.9 28.38 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.39 45.51 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.087 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 151.57 21.28 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.423 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 75.2 m95 -98.65 135.61 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.436 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 91.2 m-85 -127.32 136.19 51.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -70.5 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.9 m -89.65 -52.69 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.87 165.13 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.633 0.254 . . . . 0.0 110.905 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -155.81 137.16 5.41 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.5 pt-20 -155.05 176.26 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -177.041 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 7.3 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.583 0.23 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.87 -23.05 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 111.127 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -96.72 157.05 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.76 81.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.585 0 O-C-N 123.792 0.683 . . . . 0.0 113.157 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' CYS . 25.2 m -163.81 115.4 1.38 Allowed 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.91 43.93 1.75 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.426 -0.416 . . . . 0.0 112.743 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 17.0 mtmt -136.4 167.74 20.77 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.9 p -68.37 169.67 10.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.464 0.173 . . . . 0.0 110.96 -176.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -52.92 -57.38 10.48 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.1 -49.46 74.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.904 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.927 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 6.3 t -101.9 -80.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.835 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 m -73.58 -21.54 60.31 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.96 -55.34 18.84 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.047 -0.597 . . . . 0.0 114.255 -171.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HB2' ' CB ' ' A' ' 23' ' ' ARG . 52.5 Cg_endo -69.94 -25.83 27.34 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.09 1.86 . . . . 0.0 112.748 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD21 HH11 ' A' ' 23' ' ' ARG . 4.0 mm? -75.01 -45.16 43.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.988 0.423 . . . . 0.0 110.401 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 41' ' ' LEU . 2.4 mt -69.88 -22.02 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.985 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.24 -8.63 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.608 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 46' ' ' TYR . 1.7 mpp_? 61.97 17.67 9.19 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -92.15 -33.25 14.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.751 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.453 HH11 HD21 ' A' ' 18' ' ' LEU . 65.0 ttt-85 -105.89 130.82 53.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.577 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.2 p -84.88 125.14 32.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 30' ' ' ALA . . . -60.89 -24.5 66.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.55 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 68.36 -2.29 1.62 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -154.06 149.69 21.18 Favored Pre-proline 0 C--O 1.235 0.331 0 C-N-CA 121.955 0.102 . . . . 0.0 110.729 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' HB2' ' A' ' 112' ' ' PHE . 20.1 Cg_endo -59.08 -47.89 16.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 123.091 2.527 . . . . 0.0 112.569 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.8 pt-20 -60.01 -44.6 94.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.975 0.417 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HA ' HH11 ' A' ' 33' ' ' ARG . . . -62.79 -44.35 96.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.513 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.2 tm? -66.31 -35.24 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -62.02 -51.73 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.567 -177.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.96 -29.21 65.15 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.137 -173.427 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -70.38 -42.86 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -62.58 -51.22 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.718 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.46 -40.6 59.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.245 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.04 -37.82 69.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -66.37 -26.01 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -62.76 -37.94 88.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.069 0.461 . . . . 0.0 110.058 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.83 -18.48 50.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.017 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 19' ' ' LEU . 64.9 mt -105.25 20.04 19.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.776 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.55 23.08 0.07 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.431 1.092 . . . . 0.0 113.1 -178.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.0 t0 -95.74 70.03 2.96 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -68.6 -19.73 64.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.646 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.68 -39.91 80.36 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 54.1 t80 -55.79 -36.31 67.27 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 38' ' ' ALA . 23.1 mm -57.99 -56.3 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.191 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.504 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 16.6 t -57.69 -35.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.9 -48.01 83.45 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.413 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 p -89.24 22.15 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.716 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -99.65 152.63 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.523 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 14.7 t70 -50.27 137.02 22.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 173.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.44 -33.39 92.04 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.89 2.394 . . . . 0.0 112.421 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -82.37 -43.06 17.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.292 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 122' ' ' SER . 31.2 mmt180 -67.96 -28.58 67.57 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 19.0 ttp180 -61.6 -17.45 55.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.9 -25.55 68.2 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.61 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.62 -15.42 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.822 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.79 94.32 9.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.85 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB2' HG23 ' A' ' 63' ' ' VAL . 12.1 m-20 -91.82 142.82 27.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -53.39 -41.35 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.87 -51.58 68.71 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.74 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 60' ' ' ASP . 94.3 t -58.1 -45.59 88.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.335 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.379 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 42.3 ttm105 -71.37 -39.64 71.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.979 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.97 -27.08 17.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.771 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -61.05 -55.89 27.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.898 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.36 -24.15 62.92 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.859 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.2 mm-40 -66.39 -39.53 89.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.45 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.73 -29.74 12.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.595 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -134.59 115.91 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.991 0.424 . . . . 0.0 111.419 -176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.58 116.01 19.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.324 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -71.5 114.08 9.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 110.748 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.83 -59.57 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.802 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 31.3 tt0 -138.11 149.36 45.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.262 -169.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 tp -115.53 129.66 56.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.821 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 79.3 ttt180 -119.11 98.73 6.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.23 113.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.5 mt -83.46 -51.5 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.5 159.49 30.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.02 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -134.29 159.61 40.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.4 m -154.01 139.97 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.988 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.28 122.98 15.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.797 0.332 . . . . 0.0 110.257 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -113.88 49.88 0.96 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.268 0.556 . . . . 0.0 109.763 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.26 -82.89 0.54 Allowed Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.759 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 p -86.97 -29.79 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.714 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.6 tmm_? -124.14 136.09 53.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.514 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -141.73 171.58 24.36 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -154.66 148.14 25.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.73 132.47 48.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -100.65 132.97 45.77 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.629 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -151.23 -178.25 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.136 0.493 . . . . 0.0 111.17 -175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.1 mt -134.49 116.92 22.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.795 174.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 116.71 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.5 ttm-85 -95.96 117.61 30.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.763 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -137.13 147.64 46.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.88 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 52.4 ttp180 -89.99 106.92 18.8 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.423 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.532 0.385 0 N-CA-C 113.711 0.62 . . . . 0.0 113.711 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.0 mt-10 -84.51 154.99 22.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -151.94 149.63 29.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.5 p -134.38 144.92 48.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.608 0.242 . . . . 0.0 110.389 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -126.02 140.75 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -111.16 106.31 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -179.75 5.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 111.789 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.658 HH21 ' NE2' ' A' ' 111' ' ' GLN . 43.0 ttp180 -136.59 109.04 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.751 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.6 p -104.3 123.88 48.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.644 0.259 . . . . 0.0 110.972 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.658 ' NE2' HH21 ' A' ' 109' ' ' ARG . 1.0 OUTLIER -90.11 148.95 22.69 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 175.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 76.1 m-85 -130.1 147.54 51.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.415 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 56.6 ttt180 -120.97 131.76 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.756 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -94.99 129.86 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.954 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.85 133.03 20.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.962 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 61.73 25.72 15.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.84 -3.2 87.43 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.502 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 41.5 mtt180 -122.26 138.47 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -173.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -88.0 144.36 26.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.837 -174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.25 142.63 47.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.87 122.49 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.62 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 16.5 m -90.85 -52.87 4.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -173.51 157.92 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 110.897 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.54 134.03 6.06 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.182 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -145.03 156.02 43.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.644 0.259 . . . . 0.0 110.606 179.662 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.235 0.064 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.1 m -68.98 78.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 122.185 0.993 . . . . 0.0 109.994 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 76.2 m -165.85 146.0 6.54 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.758 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.21 73.2 0.09 OUTLIER Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.8 p -170.88 129.6 0.78 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.01 58.63 3.93 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 3.4 mmpt? -134.01 158.63 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 44.4 p -78.61 178.64 7.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.255 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -58.92 -53.42 58.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.81 -56.37 16.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.42 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.59 -26.46 61.53 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.521 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 10' ' ' THR . 7.8 t -101.5 -82.97 0.46 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.3 m -74.98 -21.75 58.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.47 -55.66 15.92 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -169.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 46.2 Cg_endo -68.48 -26.43 34.34 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.185 1.923 . . . . 0.0 112.255 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 4.0 mm? -75.24 -47.15 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.919 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.31 -34.57 77.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.243 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.51 65.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.698 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 65.45 16.95 10.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.683 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -90.81 -23.23 20.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.588 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 49.2 ttt180 -128.76 140.23 51.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -83.07 141.63 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.97 70.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.637 0.256 . . . . 0.0 111.603 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.69 8.29 5.1 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.483 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -161.19 145.31 10.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.26 -52.26 6.89 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.829 2.353 . . . . 0.0 112.734 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -67.15 -33.1 74.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.669 0.271 . . . . 0.0 110.972 -178.505 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -62.49 -29.37 70.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -81.47 -42.69 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.14 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.522 ' HE3' HG22 ' A' ' 78' ' ' VAL . 20.5 ptt? -69.04 -31.97 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.573 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -76.84 -26.15 54.0 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.826 -177.527 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.45 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 32.4 p -77.39 -46.25 23.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -55.41 -50.14 70.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.105 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -52.41 -45.89 66.09 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.62 -32.03 72.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.225 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.0 -38.2 87.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.775 0.321 . . . . 0.0 110.649 177.271 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.52 62.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.514 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 92.2 mt -97.69 19.75 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.575 176.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 42.99 28.63 0.14 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.886 1.274 . . . . 0.0 113.541 177.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -103.16 85.92 2.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.448 0.642 . . . . 0.0 109.283 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 24.5 p90 -71.08 -11.63 61.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.195 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.23 -48.8 66.74 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.043 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.502 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 77.4 t80 -58.09 -34.02 69.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 39' ' ' TYR . 34.9 mm -54.55 -52.46 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.207 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.45 -42.15 86.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -77.87 -3.18 40.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.429 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 p -114.81 12.53 16.99 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.162 0.506 . . . . 0.0 110.656 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 55' ' ' ARG . 35.2 m -90.65 152.08 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.415 173.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -51.32 137.5 29.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.36 -30.81 27.95 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -82.41 -46.97 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.073 0.464 . . . . 0.0 110.504 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 122' ' ' SER . 28.0 mmt180 -68.84 -24.52 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.928 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.97 -25.23 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.46 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.36 -27.06 68.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.551 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -86.09 -11.77 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.74 170.74 10.17 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.288 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.527 ' HB3' HG23 ' A' ' 63' ' ' VAL . 31.6 t70 -169.65 147.53 3.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.074 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.16 -41.1 74.89 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.24 -49.44 71.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.621 0.724 . . . . 0.0 110.395 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 60' ' ' ASP . 6.6 t -64.36 -44.72 97.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.74 -174.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.546 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.6 -36.48 80.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.513 177.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.6 ttt180 -62.49 -49.34 75.76 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.85 36.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.146 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -63.15 -51.13 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.537 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 21.0 ptt? -66.45 -22.36 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.967 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 26.0 mm-40 -76.29 -39.14 55.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -86.83 -27.45 23.5 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.722 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 m -106.12 120.8 42.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 111.757 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 37.5 t70 -93.88 100.67 12.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.0 119.46 18.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -172.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -87.0 -64.98 1.06 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.793 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -156.06 150.77 26.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.8 tp -98.49 132.57 43.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.519 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.58 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 75.7 ttt180 -111.67 102.38 10.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 32' ' ' MET . 96.7 t -87.08 117.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.3 mt -89.75 -56.15 3.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.836 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.61 158.88 27.37 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.267 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.4 p -142.48 159.72 41.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 111.183 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -149.38 123.47 9.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.326 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' CZ2' ' A' ' 119' ' ' TRP . 41.0 tt0 -86.15 121.42 28.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -110.53 54.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.03 -104.86 1.03 Allowed Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.644 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.0 m -86.23 -0.36 55.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.045 0.45 . . . . 0.0 111.058 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -134.66 166.36 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.79 164.8 33.83 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.859 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -146.2 139.06 25.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.53 135.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HG2' HD12 ' A' ' 79' ' ' LEU . 31.7 tt0 -107.0 132.11 53.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.93 175.02 12.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.285 0.564 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.2 mt -132.81 115.4 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.408 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.34 111.81 22.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -95.4 117.24 30.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -139.97 171.75 13.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.6 ttp180 -120.06 121.89 39.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.055 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -176.652 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.078 0.366 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 44.5 mt-10 -87.29 171.05 10.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.027 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -161.84 148.67 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.572 170.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 15.7 p -127.68 111.73 14.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -88.76 107.64 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -93.89 101.08 13.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.088 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.15 158.02 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.413 0.625 . . . . 0.0 111.535 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -111.77 105.13 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.402 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 t -100.83 136.93 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 111.331 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.39 139.23 36.36 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.769 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -124.54 142.42 51.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.305 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -109.64 138.02 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.984 0.421 . . . . 0.0 110.346 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -88.77 104.81 17.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.291 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -114.09 120.35 40.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.438 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 61.51 23.85 14.05 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.4 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.01 66.29 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.181 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.513 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.8 mpt_? -98.23 149.03 23.01 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.41 ' CZ2' ' HG3' ' A' ' 83' ' ' GLU . 94.9 m95 -89.33 137.6 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 97.6 m-85 -134.93 141.68 46.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.226 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -67.05 114.31 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 36.8 m -91.49 -54.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.803 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.84 172.66 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.842 0.353 . . . . 0.0 110.781 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.25 151.79 16.48 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -158.93 152.34 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.858 0.329 . . . . 0.0 110.563 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.328 177.064 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.546 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.6 m -69.66 76.53 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 122.146 0.974 . . . . 0.0 109.943 173.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 72.1 m -168.11 164.46 13.48 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.371 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.39 55.21 1.97 Allowed Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 166.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -154.91 118.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.26 -17.0 67.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.271 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.9 mtpt -59.92 161.09 6.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 111.215 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.609 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.8 p -74.57 177.31 6.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.019 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -54.7 -53.35 56.06 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -56.36 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.337 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.99 -18.86 65.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.643 -174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.0 t -105.27 -76.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 111.424 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 50.4 m -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -53.65 -55.34 25.73 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 121.125 -0.559 . . . . 0.0 114.139 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 23.8 Cg_endo -62.93 -30.4 76.91 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.137 1.892 . . . . 0.0 112.377 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.12 -52.13 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.78 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 15' ' ' CYS . 32.8 mt -69.52 -21.28 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.103 -177.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -82.53 -10.81 58.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.028 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.7 9.91 3.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.929 0.491 . . . . 0.0 111.49 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -79.99 -16.75 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.9 ttm-85 -151.2 141.14 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.674 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -97.66 153.34 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.984 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.47 8.12 2.7 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.116 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -150.4 137.86 11.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.73 -44.01 34.29 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.652 2.235 . . . . 0.0 112.047 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 12.4 pt-20 -66.15 -43.69 86.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -67.06 -27.11 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.514 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.453 HD11 ' HD2' ' A' ' 35' ' ' ARG . 2.9 tm? -80.93 -41.12 23.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.885 -178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.708 -178.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.596 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.79 -23.18 49.23 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 -178.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 p -77.56 -44.05 29.79 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD2' HD11 ' A' ' 31' ' ' LEU . 41.1 mtp180 -62.12 -38.76 90.13 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.503 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -50.93 -48.16 60.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.245 0.545 . . . . 0.0 110.254 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -67.47 -39.23 85.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.961 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.9 81.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.169 0.509 . . . . 0.0 110.451 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.78 -37.45 79.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.803 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.84 -22.55 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.834 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.9 mt -94.79 20.07 9.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.924 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' O ' ' HE1' ' A' ' 68' ' ' MET . 0.0 OUTLIER 47.99 23.93 0.56 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.494 1.118 . . . . 0.0 112.9 178.08 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -101.38 78.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.629 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 39.3 p90 -68.26 -19.32 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.406 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 28.2 t70 -59.83 -45.63 91.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.05 -35.46 80.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.672 0.272 . . . . 0.0 110.375 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 39' ' ' TYR . 47.3 mm -56.29 -47.83 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.834 HG12 ' HE ' ' A' ' 56' ' ' ARG . 38.4 t -67.2 -36.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.389 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 48.1 mt-10 -61.85 -38.85 89.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.024 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -95.25 18.11 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.624 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -90.86 152.68 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 12.7 t70 -52.07 133.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 123.275 0.36 . . . . 0.0 110.376 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -41.34 -32.53 1.26 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.995 3.13 . . . . 0.0 112.532 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.01 -44.51 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.418 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' NH1' ' HB3' ' A' ' 123' ' ' GLU . 16.1 mmt85 -68.69 -23.61 64.41 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.942 0.401 . . . . 0.0 110.501 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HE ' HG12 ' A' ' 48' ' ' VAL . 39.7 ttt180 -62.29 -28.85 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.964 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.91 -25.86 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -77.25 -18.08 57.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -78.43 165.46 23.77 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -147.65 136.29 21.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.557 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -58.17 -46.55 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.885 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.34 -51.84 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.688 0.28 . . . . 0.0 110.831 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.03 -40.43 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.629 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.4 t30 -62.86 -48.18 80.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.17 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.644 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 19.2 ttp180 -60.16 -48.63 80.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -37.94 20.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.412 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -67.06 -51.79 50.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.067 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.2 ptt? -66.13 -20.0 66.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.573 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 15.7 mm-40 -68.98 -32.19 71.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.302 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -108.01 10.68 28.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 68' ' ' MET . 47.0 t -121.41 84.13 2.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.145 0.497 . . . . 0.0 110.638 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 17.8 t0 -77.06 106.49 8.79 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.65 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -77.87 126.9 31.54 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 111.693 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -106.48 -53.95 2.55 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.732 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -145.23 154.13 42.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.024 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -123.52 146.54 48.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 74.1 ttt180 -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.41 126.11 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.051 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 91' ' ' GLU . 78.1 mt -101.91 -53.04 3.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 110.934 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.16 159.8 29.34 Favored Glycine 0 C--O 1.23 -0.156 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 p -153.59 139.33 17.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.723 0.261 . . . . 0.0 110.46 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 m -148.79 129.72 14.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -101.39 117.72 35.52 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -112.82 73.21 0.8 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.81 -113.62 4.66 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.561 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 p -94.83 6.07 50.05 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.956 0.408 . . . . 0.0 111.398 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.58 140.57 31.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.29 174.4 21.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.074 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 HE21 ' A' ' 111' ' ' GLN . 83.2 m -152.62 145.45 24.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 32' ' ' MET . 6.3 p -141.99 134.11 27.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.11 0.481 . . . . 0.0 110.848 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HG3' HD12 ' A' ' 79' ' ' LEU . 6.8 tp10 -100.65 125.6 47.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.929 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -146.97 172.55 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.122 0.487 . . . . 0.0 111.507 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 92.4 mt -133.86 108.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.493 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.98 113.21 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 103' ' ' GLU . 35.3 ttt85 -94.7 117.93 30.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -131.61 -174.84 3.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.76 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 16.5 ttp180 -123.77 119.53 30.01 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 C--O 1.235 0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.955 -173.761 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 C--O 1.238 0.496 0 N-CA-C 113.525 0.548 . . . . 0.0 113.525 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 35.6 mt-10 -75.05 166.49 23.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.34 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -157.39 145.87 19.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.614 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -102.17 148.63 25.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 4.6 t-80 -121.66 104.18 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -121.79 114.75 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 1.5 pm0 -160.17 159.78 32.08 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.724 0.773 . . . . 0.0 112.152 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HG2' ' CG2' ' A' ' 89' ' ' THR . 28.5 ttp-105 -93.76 110.71 22.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.47 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 p -98.53 134.2 41.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.44 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.422 HE21 HG23 ' A' ' 89' ' ' THR . 2.2 mp0 -97.74 136.54 37.93 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.314 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -130.49 142.07 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.455 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 72.4 ttt180 -105.68 142.51 35.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.185 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -104.05 106.66 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.061 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -112.4 119.27 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.2 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 7.5 mpt_? 59.09 24.41 12.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.203 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.26 -12.81 69.02 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 113.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.6 mpt_? -93.22 147.16 23.14 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -99.19 135.29 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.16 148.44 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.745 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -72.16 123.8 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.856 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 m -101.38 -57.25 2.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.475 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 9.5 pt-20 -165.46 -176.86 4.17 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.11 169.74 42.8 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -144.47 138.88 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.702 0.251 . . . . 0.0 110.328 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HA ' ' HB3' ' A' ' 108' ' ' GLU . . . . . . . . 0 C--O 1.237 0.406 0 O-C-N 123.402 0.439 . . . . 0.0 110.385 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 3.3 t . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 m -72.6 65.89 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 0.0 110.596 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 8.5 m -161.4 140.53 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.033 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.1 95.51 0.07 OUTLIER Glycine 0 C--N 1.332 0.335 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 p -171.64 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.715 0.293 . . . . 0.0 110.772 -174.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.41 8.97 87.4 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.34 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 25.6 mtmt -104.27 163.32 12.5 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 78.0 p -67.53 172.99 4.46 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.373 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 51.5 t80 -60.91 -56.76 17.35 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.34 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -64.49 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.974 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.41 -56.86 11.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 109.946 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -73.66 -72.29 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.888 -176.155 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 52.3 m -73.63 -28.43 61.79 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.6 -55.19 14.36 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 114.689 0.636 . . . . 0.0 114.689 -169.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 -25.71 27.39 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.145 1.897 . . . . 0.0 112.666 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' OG ' ' A' ' 34' ' ' SER . 4.6 mm? -75.2 -51.66 12.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.473 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 46' ' ' TYR . 47.0 mt -63.39 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.645 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.45 -7.58 48.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 64.71 12.86 7.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.177 0.591 . . . . 0.0 111.642 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HB3' ' A' ' 20' ' ' ALA . 6.2 t -90.75 -27.39 18.96 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.954 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -109.47 133.53 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 110.997 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.1 p -90.92 124.77 35.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.153 172.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.76 53.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.85 12.01 2.82 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.961 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -158.13 131.18 4.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.95 -42.3 68.23 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.876 2.384 . . . . 0.0 111.958 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 7.3 pt-20 -61.43 -45.67 93.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.397 178.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -66.2 -34.29 77.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 tm? -64.18 -47.68 78.89 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 68.4 mmm -62.21 -47.88 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 176.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -57.4 -34.39 68.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.346 -178.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.486 ' OG ' ' HG ' ' A' ' 18' ' ' LEU . 28.1 m -78.12 -51.53 10.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.651 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' ILE . 14.6 ptt180 -72.56 -31.07 64.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.658 -172.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -53.81 -38.04 64.16 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.488 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -64.03 -38.98 93.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.238 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 47' ' ' ILE . 2.4 m-30 -62.26 -47.37 84.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.013 0.435 . . . . 0.0 110.089 174.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.88 -25.6 65.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.281 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.9 mt -105.54 19.46 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.53 31.25 0.59 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.48 1.112 . . . . 0.0 113.745 176.289 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.57 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 29.6 t70 -102.43 79.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.9 p90 -71.31 -10.89 60.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.53 -55.52 21.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.944 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.491 ' CG ' HD23 ' A' ' 19' ' ' LEU . 69.9 t80 -60.23 -32.27 70.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 35' ' ' ARG . 45.0 mm -61.76 -47.52 92.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.388 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 22.0 t -63.75 -35.13 71.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.768 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -77.22 -5.53 49.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.2 p -115.78 17.8 15.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.0 m -99.01 152.85 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.76 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.06 138.41 46.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.67 -28.06 44.91 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.88 2.387 . . . . 0.0 112.448 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.66 -52.24 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -65.01 -17.58 64.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.167 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' HG12 ' A' ' 48' ' ' VAL . 21.9 ttp180 -62.72 -25.18 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.919 0.39 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.93 -29.95 70.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.28 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.6 mt -79.55 -8.27 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.66 124.52 34.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.49 147.9 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.78 -42.85 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.224 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.97 -55.11 24.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.435 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -36.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.998 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.47 -46.59 87.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.156 0.503 . . . . 0.0 109.874 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 25.9 ttp-105 -67.47 -32.97 74.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.42 -33.06 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.184 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -65.91 -47.03 76.12 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.7 ptm -69.57 -24.21 63.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.295 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.9 mm-40 -77.08 -37.9 53.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.61 -25.33 33.3 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.118 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.1 m -147.51 138.05 23.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.379 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.28 103.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 98.8 m-85 -63.59 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 -177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.42 -53.66 2.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.62 -171.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.53 146.06 32.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 -169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -118.3 148.65 42.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -142.17 109.5 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.077 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -84.17 122.62 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.8 mt -92.53 -51.36 5.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.204 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.85 161.0 28.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.957 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 p -159.15 145.46 16.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -148.15 130.52 15.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.243 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -106.45 114.98 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -110.18 68.55 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.657 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.74 -105.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.599 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.0 m -92.9 -9.52 39.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -108.55 151.75 25.68 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.86 157.96 28.19 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -150.46 142.54 24.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.34 131.72 30.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.45 132.5 49.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -149.33 179.66 7.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.201 0.524 . . . . 0.0 111.694 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 106' ' ' HIS . 41.5 mt -134.96 119.88 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.197 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.09 115.43 30.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -95.05 136.13 35.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -151.28 163.6 38.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.868 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 38.0 ttp180 -89.87 111.71 22.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.474 -172.254 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.254 0.439 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 42.7 mt-10 -87.01 164.72 16.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.922 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -158.49 148.22 19.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.8 p -128.76 124.32 35.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.811 0.339 . . . . 0.0 110.737 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 27.1 m170 -84.46 144.97 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -126.92 99.87 5.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.39 -177.26 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.748 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -139.95 119.27 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.2 t -104.8 134.94 47.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.451 . . . . 0.0 110.914 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.68 140.77 31.58 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 90.7 m-85 -128.51 154.22 46.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 -176.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -112.44 136.05 52.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.577 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 66.4 tttt -95.38 106.04 18.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.85 124.8 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.28 21.17 12.32 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.369 0.604 . . . . 0.0 109.734 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.03 -13.87 65.86 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.998 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -96.07 149.35 21.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 89.0 m95 -93.38 130.31 39.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.677 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 91.4 m-85 -127.33 133.25 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.559 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -57.91 123.92 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.1 m -102.17 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.106 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.4 -175.58 5.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.0 151.64 5.83 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.27 178.89 9.79 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.27 177.523 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.548 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 17.4 m -71.58 69.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 122.095 0.95 . . . . 0.0 109.993 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.791 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 35.0 m -166.4 119.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.072 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 76' ' ' LEU . . . -60.45 81.47 0.02 OUTLIER Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.877 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.421 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 13.4 m -148.86 -31.78 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.494 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 38.35 14.74 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.027 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.8 mmmt -124.93 152.07 44.59 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.8 p -69.54 174.53 4.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.354 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -61.31 -49.31 77.52 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.04 -57.51 8.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.474 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.62 -24.29 67.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.581 -174.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 29.6 t -95.82 -87.97 0.28 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.399 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 68.0 m -75.04 -21.26 59.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -174.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.12 13.74 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 34.5 Cg_endo -68.12 -26.31 36.73 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.831 1.687 . . . . 0.0 112.488 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.95 -51.88 11.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 mt -72.22 -21.28 61.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.85 -5.56 48.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.453 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? 57.18 21.45 6.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -97.42 -19.17 18.63 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 35.2 ttm180 -139.44 140.51 37.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.716 0.293 . . . . 0.0 111.048 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.5 p -90.98 131.38 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -54.8 -32.36 60.15 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.37 10.94 4.22 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.816 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 42.3 t -149.19 134.01 9.25 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.21 -49.17 14.79 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.839 2.359 . . . . 0.0 112.357 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 15.0 pt-20 -69.09 -42.42 76.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.801 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -61.59 -34.29 75.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 110.472 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.81 -43.91 43.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.232 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 32' ' ' MET . 14.8 tmm? -61.94 -50.36 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.808 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.35 -22.77 63.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.657 -175.374 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -77.47 -36.04 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 109.817 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttt-85 -66.35 -41.45 89.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.119 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -53.99 -45.42 71.44 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.726 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.791 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.96 -34.4 76.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.306 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.36 -31.72 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.732 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 6.1 m-85 -67.66 -44.37 78.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.9 0.381 . . . . 0.0 110.515 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.27 75.03 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.382 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 88.3 mt -90.05 14.18 12.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.382 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.525 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 40.69 34.64 0.26 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.55 1.14 . . . . 0.0 113.346 178.092 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -102.92 74.77 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 170.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 49.1 p90 -71.76 -10.99 60.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.36 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.09 -50.52 73.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.18 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -55.55 -34.35 64.66 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.48 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.1 mm -62.61 -54.08 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.391 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.1 -45.28 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.734 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.36 -38.61 77.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 p -90.11 19.77 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.546 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -101.54 147.71 26.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.742 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -50.63 137.42 24.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.636 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.85 -40.39 48.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.982 2.454 . . . . 0.0 112.668 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.5 -37.08 44.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.162 -177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 11.1 mmt85 -79.05 -24.1 43.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 110.024 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -66.12 -25.06 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.068 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.49 -30.11 69.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.154 0.502 . . . . 0.0 110.315 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.41 -23.13 58.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.01 98.5 2.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.22 150.03 23.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.664 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -58.65 -52.6 65.01 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.24 -45.34 85.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.81 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.651 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.3 t30 -65.05 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 68' ' ' MET . 17.2 ttt180 -73.52 -39.53 64.72 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.452 174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.12 -41.4 35.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.036 -174.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.64 -49.11 78.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.628 ' HB3' ' HD2' ' A' ' 39' ' ' TYR . 27.4 ptt? -71.32 -19.52 62.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 19.6 mm-40 -75.27 -42.68 54.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -84.72 -20.66 30.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 m -114.72 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 30.1 t70 -77.44 89.96 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.474 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.6 m-85 -58.62 128.93 39.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.172 0.51 . . . . 0.0 111.948 -172.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 mt -111.66 -50.34 2.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -161.29 151.22 17.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' HB3' ' H ' ' A' ' 6' ' ' GLY . 57.9 tp -107.42 140.6 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.071 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -128.87 99.72 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -81.47 121.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.332 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.6 mt -85.76 -49.6 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.964 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.33 168.8 41.44 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.44 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' VAL . 79.5 p -157.56 152.88 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.724 0.297 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 m -146.33 135.14 22.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.147 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.97 115.18 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.23 81.66 1.54 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.17 -111.41 4.08 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.359 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -98.49 -0.64 43.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 110.664 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -104.93 132.58 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.95 144.48 16.44 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.792 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -137.45 134.79 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.585 0.193 . . . . 0.0 110.558 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.5 p -139.05 121.85 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.225 0.535 . . . . 0.0 110.288 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.538 ' HG2' HD12 ' A' ' 79' ' ' LEU . 39.7 tt0 -102.05 134.32 45.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.805 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -155.28 -179.23 7.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.852 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.7 mt -133.5 118.06 29.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.706 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.2 111.34 22.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.848 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -95.03 119.78 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.6 p90 -144.23 155.23 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 110.918 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 17.3 ttp180 -90.12 126.76 35.91 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 27.2 tpt180 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 89.2 Cg_endo . . . . . 0 C--O 1.234 0.281 0 N-CA-C 113.164 0.409 . . . . 0.0 113.164 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.81 105.86 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.274 0.559 . . . . 0.0 109.523 174.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.0 155.04 22.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.843 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 114.79 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 111.06 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.74 130.44 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.617 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -113.86 118.84 35.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.86 169.08 17.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.564 0.697 . . . . 0.0 111.564 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 125' ' ' GLU . 50.4 ttp180 -126.95 103.76 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.347 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 m -92.72 125.06 37.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.948 0.404 . . . . 0.0 110.899 -174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -104.23 132.78 50.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.809 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -113.87 139.28 49.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.861 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 52' ' ' ASP . 34.8 ttp180 -103.9 127.71 51.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -80.42 106.1 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.86 126.55 55.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.156 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 61.1 23.45 13.64 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -10.06 74.25 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.4 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 1.5 mpt_? -105.5 152.99 22.34 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -90.23 136.04 33.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.452 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 87.4 m-85 -128.57 131.15 48.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.462 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.66 118.4 6.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.812 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 m -104.0 -47.72 4.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.911 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.81 132.8 15.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 111.365 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.41 81.75 0.34 Allowed Glycine 0 C--N 1.332 0.346 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 109' ' ' ARG . 16.4 pt-20 -80.42 134.8 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.735 0.302 . . . . 0.0 111.078 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 178.279 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.5 t . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.5 m -66.31 77.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.001 0.905 . . . . 0.0 110.246 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 59.8 m -164.41 138.83 5.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.03 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.16 86.26 0.01 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 171.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -175.65 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.156 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.31 -10.49 73.02 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.734 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 25.3 mtmt -70.94 171.21 11.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.351 0.12 . . . . 0.0 110.745 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 52.9 p -73.22 172.28 11.42 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.702 0.287 . . . . 0.0 110.984 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.18 -53.97 52.09 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.75 -56.59 17.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.68 -32.29 65.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.384 0.611 . . . . 0.0 110.832 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.6 t -97.84 -79.96 0.46 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.856 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 57.2 m -74.09 -23.5 59.34 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.59 14.21 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 114.553 0.581 . . . . 0.0 114.553 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 42.3 Cg_endo -70.79 -26.6 22.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.04 1.827 . . . . 0.0 112.724 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 25' ' ' ALA . 3.6 mm? -75.97 -47.15 26.16 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.465 -177.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 46' ' ' TYR . 15.6 mt -62.15 -31.25 71.71 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.07 -16.78 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.614 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? 63.94 13.39 7.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.38 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -68.06 -31.49 71.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.121 0.486 . . . . 0.0 110.391 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 64.4 ttt180 -121.37 131.28 54.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 m -86.17 118.83 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.989 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.01 -38.52 57.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.569 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.28 12.8 5.45 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.948 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -145.78 131.27 9.29 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.83 -52.82 7.59 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.974 2.45 . . . . 0.0 112.541 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 4.5 pt-20 -66.93 -37.84 85.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.983 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.63 -40.12 86.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.22 0.533 . . . . 0.0 110.714 -178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.88 -44.88 46.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.758 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -61.78 -49.27 77.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.991 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.17 -27.05 66.08 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.789 -176.118 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -76.94 -34.26 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 175.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -64.93 -45.77 84.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.82 -44.04 66.38 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.789 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -55.58 -35.08 65.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.043 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -61.2 -36.46 79.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.49 -41.68 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.74 65.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.977 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -96.74 20.17 11.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.97 21.98 0.35 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.467 1.107 . . . . 0.0 113.388 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 15.7 m-20 -96.24 57.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HZ ' HH21 ' A' ' 65' ' ' ARG . 46.8 p90 -69.22 -14.03 62.73 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.697 -172.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.98 -36.05 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.23 0.538 . . . . 0.0 109.919 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CG ' HD23 ' A' ' 19' ' ' LEU . 60.8 t80 -64.13 -32.42 73.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.745 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.5 mm -56.68 -43.04 78.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.944 177.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.81 -44.09 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.818 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.51 -27.64 57.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.584 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 p -104.62 22.74 14.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.668 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 34.4 m -99.73 150.02 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 7.1 t70 -49.25 131.7 17.0 Favored Pre-proline 0 N--CA 1.466 0.327 0 O-C-N 123.43 0.456 . . . . 0.0 110.199 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.46 -19.39 17.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.425 2.083 . . . . 0.0 111.917 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.31 -32.58 14.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 122' ' ' SER . 14.1 mmt85 -92.46 -15.53 27.0 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.723 0.297 . . . . 0.0 111.161 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 9.4 ttp180 -63.78 -21.18 66.29 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.93 0.395 . . . . 0.0 111.256 -172.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.25 -29.41 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.49 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.1 mp -83.29 -1.74 53.96 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.211 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -95.4 128.26 42.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -122.7 145.24 48.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.873 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.01 -48.21 82.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.047 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.49 -46.3 90.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.377 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.85 -51.47 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -58.96 -39.29 81.24 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.202 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 15.0 ttm180 -61.08 -47.72 85.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -51.04 -42.45 60.5 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -59.88 -48.87 79.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.238 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 ptm -71.87 -19.71 61.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.11 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.1 mm-40 -78.52 -42.9 28.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.628 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.0 pt-20 -78.97 -23.85 44.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 110.978 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -134.5 108.5 8.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -78.95 114.92 18.29 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.62 116.26 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.53 -44.54 6.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 35.1 tt0 -142.72 142.26 31.94 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.534 -170.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.8 tp -111.37 134.49 52.91 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -125.65 98.71 5.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.0 118.59 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.0 mt -89.28 -50.64 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.05 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.39 159.42 32.72 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 p -141.21 156.81 45.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.774 0.287 . . . . 0.0 110.725 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -152.98 119.67 5.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.418 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 31.8 tt0 -102.45 116.0 31.72 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -114.81 82.06 1.67 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.224 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.02 -75.86 0.59 Allowed Glycine 0 CA--C 1.521 0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.813 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.3 m -137.09 -17.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -95.83 133.05 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.72 164.36 25.74 Favored Glycine 0 CA--C 1.506 -0.517 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.375 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.2 m -151.03 140.48 21.49 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.5 124.48 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' HG2' HD12 ' A' ' 79' ' ' LEU . 35.2 tt0 -97.48 133.87 41.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.494 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -148.99 169.26 21.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.344 0.592 . . . . 0.0 111.231 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -124.52 115.42 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.926 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.0 117.82 30.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.09 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 6.1 ttm180 -94.76 126.22 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -141.15 152.91 45.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -89.33 112.44 23.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.068 -175.361 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 C--O 1.237 0.459 0 CA-C-O 121.228 0.428 . . . . 0.0 113.15 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -94.24 111.63 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.397 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -101.36 147.09 26.73 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -115.81 143.91 44.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.98 0.419 . . . . 0.0 111.248 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -119.4 106.31 12.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.711 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.53 104.92 17.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 125' ' ' GLU . 27.4 tt0 -131.94 145.95 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 0.0 111.274 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 37.2 ttp180 -114.79 101.65 9.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.738 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -95.84 140.11 31.09 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -95.23 140.43 30.15 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.748 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.404 ' HB3' ' HE3' ' A' ' 119' ' ' TRP . 49.2 m-85 -126.91 157.54 39.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.948 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -120.6 134.74 55.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.103 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -92.89 106.54 18.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.244 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 127.13 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.22 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 61.04 20.52 10.95 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.36 0.6 . . . . 0.0 110.522 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.21 64.73 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.766 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.473 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 2.5 mpt_? -89.98 157.33 17.88 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.453 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 72.8 m95 -104.83 127.7 52.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.04 0.448 . . . . 0.0 110.576 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 99.0 m-85 -121.43 140.42 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.022 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 34.3 t80 -66.02 121.41 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.082 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 31.0 m -97.18 -50.6 4.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -166.1 171.63 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.18 170.23 39.34 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 12.9 pt-20 -172.81 153.75 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.252 0.221 . . . . 0.0 110.473 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.128 177.337 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.0 t . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.551 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.6 m -61.01 81.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 122.06 0.933 . . . . 0.0 110.075 173.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.777 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 75.1 m -167.43 168.4 13.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.878 -175.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.77 3.26 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -158.89 116.26 2.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.42 -2.66 43.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.004 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -71.41 166.85 20.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.829 0.347 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 72.1 p -71.82 -179.65 2.77 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 68.1 t80 -59.77 -50.92 71.94 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.793 172.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.24 -57.01 10.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.205 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.43 -33.09 67.55 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.24 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.48 -77.63 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.828 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.5 m -73.94 -21.77 59.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.84 -54.68 17.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.666 -0.519 . . . . 0.0 114.333 -170.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 37.7 Cg_endo -67.8 -28.83 36.17 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.7 mm? -75.47 -51.16 13.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.863 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 15' ' ' CYS . 11.8 mt -69.24 -21.56 63.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.84 -10.88 60.41 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.658 175.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 65.6 8.97 5.51 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.125 0.57 . . . . 0.0 111.403 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.3 t -93.48 -41.46 9.77 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 73.1 ttt180 -106.24 143.13 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.276 -175.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 p -90.4 134.66 34.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.236 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 111.035 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.66 5.36 3.84 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.096 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -151.75 138.53 11.98 Favored Pre-proline 0 C--O 1.235 0.316 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.99 -43.79 40.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.558 2.172 . . . . 0.0 111.697 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.1 pt-20 -67.69 -38.67 84.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.465 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -64.71 -26.96 68.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.015 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.09 -50.5 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.357 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.613 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -61.43 -38.82 88.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -170.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.613 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -75.45 -26.28 58.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.779 -176.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -76.25 -39.98 53.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -59.48 -44.48 93.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.832 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -54.2 -46.35 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.139 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.02 -41.21 91.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.92 71.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.42 -35.04 58.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.797 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.98 17.79 3.93 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.443 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.87 24.21 0.1 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.77 1.228 . . . . 0.0 113.608 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.03 68.96 10.19 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 172.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 39.9 p90 -64.6 -12.58 46.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.528 ' O ' HG12 ' A' ' 48' ' ' VAL . 28.5 t70 -69.1 -45.89 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.77 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.11 -32.31 72.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.344 0.592 . . . . 0.0 109.637 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 ' CD1' ' A' ' 39' ' ' TYR . 40.0 mm -63.46 -53.63 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.618 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 45' ' ' ASP . 12.9 p -61.18 -34.62 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 110.28 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -64.05 -38.93 92.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.642 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -91.66 18.91 6.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.4 m -99.27 152.39 19.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.0 t70 -49.56 135.4 18.42 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 122.929 0.491 . . . . 0.0 110.28 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.74 -31.38 41.28 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.764 2.309 . . . . 0.0 112.143 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.72 -41.04 31.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.058 0.456 . . . . 0.0 110.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 122' ' ' SER . 34.3 mmt180 -76.42 -25.3 54.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.925 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.516 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.7 ttp180 -60.53 -22.0 63.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.46 -177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.56 -43.31 94.34 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.359 174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 58' ' ' LEU . 3.3 mp -88.05 -16.71 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.94 77.45 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.076 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.625 ' HB2' HG23 ' A' ' 63' ' ' VAL . 11.5 m-20 -71.38 139.56 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.514 ' NE2' HG11 ' A' ' 48' ' ' VAL . 76.4 m80 -53.65 -39.48 65.06 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.46 172.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.86 -49.79 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.276 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' A' ' 60' ' ' ASP . 61.4 t -61.07 -37.79 78.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.049 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.9 -45.23 90.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.256 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 15.4 ttm180 -58.98 -55.78 30.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.94 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.72 53.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 63.8 t-105 -68.37 -48.14 65.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.973 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.9 ptt? -64.86 -23.95 67.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.379 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.7 mt-10 -75.31 -44.38 45.75 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.251 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 12.1 pt-20 -80.57 5.46 15.32 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.731 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.6 p -158.07 110.14 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -84.43 102.3 12.68 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.4 m-85 -64.19 120.93 13.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.284 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -104.41 -55.07 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.042 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.0 tt0 -147.21 134.34 20.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -102.82 140.32 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -135.69 103.65 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 109.948 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.92 136.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.991 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.3 mt -111.91 -52.35 2.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.589 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.0 160.3 28.99 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 90' ' ' VAL . 26.3 p -163.95 143.2 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.76 0.28 . . . . 0.0 110.957 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 m -150.76 131.67 14.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.573 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -95.99 114.72 26.46 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.64 58.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.519 . . . . 0.0 109.665 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.6 -99.93 0.63 Allowed Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.46 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 m -91.4 -16.92 26.63 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.791 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.24 148.42 26.99 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.73 151.3 22.65 Favored Glycine 0 CA--C 1.507 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.761 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.9 m -140.89 128.35 21.26 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.7 p -138.24 125.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.18 132.63 52.83 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -153.6 -178.23 6.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.973 -175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.86 118.09 50.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.874 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 109.3 20.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.781 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.569 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 64.5 ttt180 -95.19 113.89 25.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -137.44 162.29 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.608 -178.529 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 74.0 ttt180 -89.95 121.45 32.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.525 -174.513 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo . . . . . 0 C--O 1.238 0.487 0 N-CA-C 113.88 0.685 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.3 mt-10 -74.07 160.85 30.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.053 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -147.59 139.78 24.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -110.82 112.37 24.18 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -103.11 132.81 49.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -126.18 115.36 19.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.687 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.17 171.71 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.439 0.638 . . . . 0.0 111.512 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 109' ' ' ARG . 33.8 ttp180 -127.79 101.46 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.178 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 42.9 m -97.46 128.7 44.45 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.093 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -91.35 143.99 26.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.747 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -129.69 156.68 43.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.291 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 113' ' ' ARG . 32.4 ttt85 -118.98 137.56 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.057 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 72.9 tttt -102.79 118.67 37.35 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.09 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.95 127.31 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.853 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 64.29 15.38 9.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.66 71.57 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.353 -0.451 . . . . 0.0 112.133 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.3 mpt_? -93.94 138.87 31.59 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 88.6 m95 -94.23 140.28 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.989 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.16 133.07 47.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.976 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.91 116.39 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 47.6 m -91.81 -45.68 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -173.25 167.25 4.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -154.09 112.7 0.54 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.993 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.95 128.98 38.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.904 -179.75 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 35.8 t . . . . . 0 CA--C 1.518 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.99 38.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.059 0.457 . . . . 0.0 110.912 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.736 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -168.62 105.7 0.44 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.652 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.69 -93.4 0.01 OUTLIER Glycine 0 C--N 1.335 0.478 0 O-C-N 123.682 0.614 . . . . 0.0 114.078 172.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -52.19 126.78 19.85 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.117 0.567 . . . . 0.0 111.805 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.88 10.34 26.33 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.96 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.6 mtmt -75.04 159.82 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 73.9 p -63.63 -178.12 0.27 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.427 0.632 . . . . 0.0 111.966 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.41 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.367 174.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 5.0 p-10 -72.94 -44.8 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.409 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.26 -34.4 70.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.777 0.322 . . . . 0.0 111.116 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 7.8 t -97.85 -80.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.622 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 m -73.53 -20.7 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -51.66 -55.18 21.47 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 -170.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 26.1 Cg_endo -63.46 -29.39 71.29 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.095 1.863 . . . . 0.0 112.274 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.2 mm? -75.33 -51.31 13.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 46' ' ' TYR . 18.9 mt -62.36 -32.57 73.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.979 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -8.41 57.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 59.43 19.1 7.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -93.86 -11.04 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.141 -174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.537 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 74.2 ttt180 -143.79 144.3 31.74 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.25 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 25.3 p -85.98 137.41 32.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.295 175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.04 68.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.723 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.4 6.58 3.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.285 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.6 m -160.36 143.64 10.1 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 122.454 0.301 . . . . 0.0 110.346 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.94 -51.02 8.7 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.081 2.521 . . . . 0.0 112.636 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.7 pt-20 -60.45 -43.58 96.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.015 0.436 . . . . 0.0 110.653 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -60.75 -35.03 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.74 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -74.28 -51.23 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.525 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 13.0 tpt -60.45 -49.68 76.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.932 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.736 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.454 -175.491 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -72.81 -39.25 66.79 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 21.9 mtm180 -61.85 -43.37 98.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -51.99 -42.01 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 110.833 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.64 87.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.627 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.62 -37.44 87.33 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' HG13 ' A' ' 47' ' ' ILE . 14.3 m-85 -59.42 -47.93 83.57 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.006 0.431 . . . . 0.0 110.134 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.05 66.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.917 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.0 19.3 13.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.417 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.22 12.89 0.15 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.788 1.235 . . . . 0.0 113.634 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 12.4 t70 -95.0 73.06 3.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.342 0.591 . . . . 0.0 109.639 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 44.5 p90 -71.97 -10.7 60.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.201 177.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.83 -53.96 48.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.348 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CG ' HD23 ' A' ' 19' ' ' LEU . 32.0 t80 -56.39 -38.74 71.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.944 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.7 mm -57.95 -52.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.46 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' PHE . 44.3 t -57.47 -38.41 63.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.439 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -68.54 -26.79 65.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.568 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -102.36 22.1 13.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.986 0.422 . . . . 0.0 111.329 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.6 m -99.7 153.83 18.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 172.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD1' ' HD3' ' A' ' 113' ' ' ARG . 26.9 t70 -49.27 137.94 14.97 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.577 175.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.39 -27.22 57.19 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.975 2.45 . . . . 0.0 112.664 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -93.61 -47.24 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 9.0 mmt85 -64.55 -26.77 68.56 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.122 0.487 . . . . 0.0 110.308 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 55.0 ttp180 -60.79 -33.06 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.331 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.91 -23.15 65.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.4 -11.28 43.64 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.317 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 2.3 m-85 -78.31 147.2 34.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.201 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -126.65 146.48 50.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.346 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -64.95 -34.63 78.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 -51.19 68.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.216 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.64 -52.45 60.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 84.4 m-20 -58.34 -37.31 74.91 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.165 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 44.2 ttm-85 -66.5 -50.63 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.275 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.11 -41.62 36.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.634 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.73 -56.9 11.08 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.834 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 ptm -64.08 -27.54 69.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.696 0.284 . . . . 0.0 111.054 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 22.8 mt-10 -81.31 -47.35 13.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.143 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 13.4 pt-20 -89.63 -9.08 50.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.217 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.0 m -136.8 110.08 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.615 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 36.4 t70 -79.59 108.77 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.724 176.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.62 118.4 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.186 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.578 HD21 ' NH2' ' A' ' 97' ' ' ARG . 10.8 mp -92.17 -62.61 1.37 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -154.53 149.57 26.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.84 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -110.66 141.75 43.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.1 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -132.82 98.87 4.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.39 127.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.86 -56.06 3.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.48 171.36 36.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.12 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.4 p -150.23 151.08 32.45 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.9 m -140.56 119.52 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.647 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -110.42 115.33 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.97 50.59 0.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.15 -114.28 4.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 p -80.8 -23.05 39.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 1.5 mmp_? -93.03 133.07 36.54 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.57 5.93 Favored Glycine 0 CA--C 1.509 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.674 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.432 ' CG2' ' HG2' ' A' ' 109' ' ' ARG . 24.6 m -129.25 148.32 51.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.98 136.01 50.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.247 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HB2' ' NH1' ' A' ' 109' ' ' ARG . 36.0 tt0 -107.43 132.27 53.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.73 177.07 9.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 111.484 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 105' ' ' SER . 60.8 mt -133.67 110.78 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.344 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.03 112.03 23.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.94 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -94.46 113.38 25.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.364 . . . . 0.0 110.14 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -134.08 170.66 15.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.925 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.578 ' NH2' HD21 ' A' ' 74' ' ' LEU . 45.2 ttm105 -114.89 110.92 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.416 -174.702 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo . . . . . 0 C--O 1.236 0.402 0 CA-C-O 121.216 0.423 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 56.6 mt-10 -87.65 144.47 26.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.7 173.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -137.41 145.45 43.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 93' ' ' ILE . 25.2 p -109.58 111.39 22.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.837 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 19.7 t-160 -83.11 103.78 12.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -103.82 104.35 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -136.12 -176.18 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.477 ' NH1' ' HB2' ' A' ' 91' ' ' GLU . 56.3 ttt85 -136.15 101.86 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 25.1 m -92.99 134.03 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -173.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -96.64 143.59 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.525 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 86.7 m-85 -129.29 153.58 47.68 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.668 -176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 59.7 ttt180 -121.3 126.81 50.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.126 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -83.65 105.64 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.55 115.84 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.31 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 56.49 44.38 24.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.348 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.37 -20.11 28.3 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 33.1 mtt180 -107.93 133.66 51.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.573 0.225 . . . . 0.0 110.419 -171.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -81.39 133.42 35.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -132.33 151.86 51.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -68.54 130.28 42.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.03 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -101.31 -56.58 2.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.107 0.48 . . . . 0.0 110.48 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.17 171.68 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.934 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -150.16 126.95 2.28 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -127.4 148.44 50.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.935 176.693 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.834 -0.062 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 4.1 m -56.4 88.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.909 0.861 . . . . 0.0 109.811 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 69.6 m -172.36 167.06 5.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.942 -175.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.37 40.67 1.99 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.4 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -154.18 123.15 6.35 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -174.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.23 -9.44 54.41 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.296 0.372 . . . . 0.0 113.211 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' ' 13' ' ' ASP . 42.4 mtpt -52.45 158.13 1.31 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.012 0.434 . . . . 0.0 111.267 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 25.3 p -72.1 -172.16 0.84 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.03 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.01 -58.15 6.85 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 26.7 t70 -68.0 -48.47 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.116 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.553 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -55.6 -23.45 27.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 111.497 -179.533 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 8.6 t -112.11 -83.26 0.59 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 67.0 m -75.02 -21.51 59.05 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -174.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.14 -55.23 16.26 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 114.475 0.55 . . . . 0.0 114.475 -169.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.596 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -61.5 -32.03 88.07 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.243 1.962 . . . . 0.0 112.492 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 17' ' ' PRO . 2.9 mm? -75.53 -47.06 28.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.51 -23.24 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.75 -7.57 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.093 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 60.79 15.81 6.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 17' ' ' PRO . 14.9 t -86.72 3.39 45.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -175.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 25.2 ttm180 -162.43 134.82 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.058 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 p -84.27 134.19 34.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.21 92.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.83 -0.52 0.98 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.408 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -141.91 134.14 13.69 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.19 -39.11 61.25 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.477 2.118 . . . . 0.0 111.966 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 10.8 pt-20 -66.86 -45.65 77.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.179 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.22 68.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.48 -44.73 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.284 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 23.2 ptt? -65.83 -37.31 85.88 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -22.89 56.67 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.096 -0.641 . . . . 0.0 110.167 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.564 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 22.4 m -71.73 -40.18 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.77 -46.8 88.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.115 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -54.14 -47.56 71.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.639 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.37 -36.41 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.016 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.17 67.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.2 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.09 -47.06 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 177.368 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -72.45 -13.04 61.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.44 19.66 20.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.52 29.59 0.42 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.469 1.107 . . . . 0.0 113.164 179.465 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -106.07 59.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 32.5 p90 -60.75 -11.29 7.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.275 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -43.44 78.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.23 -32.25 69.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.748 0.309 . . . . 0.0 110.223 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 39' ' ' TYR . 33.7 mm -55.58 -51.81 54.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.82 175.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.89 -39.33 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.33 -28.15 69.1 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.654 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -98.07 13.35 31.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -88.19 152.23 22.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.31 136.21 23.19 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.09 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.65 -24.22 17.05 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.831 2.354 . . . . 0.0 112.407 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -89.71 -45.38 9.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 122' ' ' SER . 26.1 mmt180 -70.02 -22.98 63.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.437 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -62.82 -25.0 68.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.14 -16.34 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.07 6.21 46.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.274 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.42 126.16 52.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.983 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 63' ' ' VAL . 21.2 m-20 -119.62 135.04 54.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.644 174.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 44' ' ' PHE . 48.9 m80 -55.46 -37.02 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.69 -40.81 98.3 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG23 ' HB2' ' A' ' 60' ' ' ASP . 60.9 t -68.25 -45.95 81.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.132 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.17 -35.74 77.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.279 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.651 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.7 ttp180 -61.43 -56.32 21.49 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.18 62.02 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.225 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.91 -52.88 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.762 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 ptm -71.0 -28.65 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.227 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.7 mt-10 -65.23 -37.62 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 110.854 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -96.5 4.73 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -134.98 104.13 5.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.694 0.283 . . . . 0.0 111.612 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 97' ' ' ARG . 13.7 m-20 -76.83 98.23 4.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.97 114.6 5.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 110.409 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.558 ' HB2' ' HD2' ' A' ' 95' ' ' ARG . 88.6 mt -101.96 -49.03 4.06 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.873 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB3' ' HE ' ' A' ' 95' ' ' ARG . 7.6 tp10 -153.4 153.6 32.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.9 134.24 54.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.523 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 41.2 ttm180 -127.19 99.79 5.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.174 0.511 . . . . 0.0 109.677 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' HE3' ' A' ' 32' ' ' MET . 63.5 t -77.02 139.26 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.543 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.64 -67.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.542 0.21 . . . . 0.0 110.853 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.84 165.3 27.68 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.237 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 90' ' ' VAL . 35.8 p -151.71 152.79 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.011 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -152.29 119.93 6.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.409 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.74 115.32 28.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -108.85 53.93 0.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.354 0.597 . . . . 0.0 109.587 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.57 -114.39 3.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.102 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 22.8 p -92.93 1.56 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.184 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.0 tmm_? -132.53 133.49 43.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -140.83 173.58 23.1 Favored Glycine 0 CA--C 1.508 -0.348 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.756 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.5 m -146.41 140.03 26.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 81' ' ' SER . 9.6 p -140.66 135.56 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -110.81 132.46 54.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.725 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.97 176.86 11.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 95.1 mt -129.22 119.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.583 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.3 111.73 23.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.558 ' HD2' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -97.59 109.98 22.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 110.322 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -129.54 162.3 28.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.7 ttm-85 -97.32 119.89 36.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.628 -175.859 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 C--O 1.235 0.356 0 CA-C-O 120.75 0.229 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 53.1 mt-10 -78.94 167.81 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -158.9 142.57 15.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -126.45 113.66 17.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -91.85 104.45 16.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.097 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -84.91 100.84 11.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.1 170.43 11.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 111.278 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -131.48 102.63 6.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.447 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -101.65 135.13 43.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 110.806 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -97.34 138.22 35.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.836 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -122.76 150.29 42.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -110.92 126.73 55.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.109 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 76.0 tttt -91.42 110.84 22.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.2 118.19 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.205 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER 55.67 33.58 21.57 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.566 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -17.22 58.71 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.444 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.47 145.03 26.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.415 0.608 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 85.8 m95 -96.68 134.65 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.334 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -122.32 140.4 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.013 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.83 116.01 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.244 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.6 m -90.63 -54.48 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.345 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.49 162.91 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.33 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -143.22 162.1 36.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.417 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.182 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 3.0 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.512 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.4 m -58.63 81.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.074 0.94 . . . . 0.0 110.267 173.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 73.8 m -163.74 149.78 11.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 72.09 0.89 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.609 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.1 p -164.9 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.13 -20.28 21.71 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.965 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 26.3 mtmt -59.6 161.01 6.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.605 0.203 . . . . 0.0 110.949 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.5 p -63.73 179.03 0.53 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.908 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -55.68 -58.58 7.23 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.508 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.49 -52.97 26.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -29.6 58.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.238 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 4.3 t -98.84 -80.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.822 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' HD12 ' A' ' 19' ' ' LEU . 53.7 m -74.47 -21.65 59.48 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.79 -55.19 18.81 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 -170.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.8 Cg_endo -68.83 -30.84 26.27 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.086 1.857 . . . . 0.0 112.591 -176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.4 mm? -71.56 -51.88 21.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 15' ' ' CYS . 71.7 mt -67.75 -27.83 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.985 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -4.93 59.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' NH2' ' HG3' ' A' ' 49' ' ' GLU . 11.1 mpt_? 63.14 2.36 1.06 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.995 0.518 . . . . 0.0 112.287 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.7 t -70.5 -16.14 62.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.96 0.41 . . . . 0.0 110.744 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 59.6 ttt180 -153.21 131.16 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.308 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 p -89.23 144.73 25.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.6 70.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.069 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.52 14.39 3.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.781 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 48.1 t -149.41 137.67 11.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.7 -47.81 12.53 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.542 2.161 . . . . 0.0 111.914 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.6 pt-20 -64.51 -44.24 91.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.529 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -63.89 -39.46 94.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.72 -38.87 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.834 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -63.66 -51.57 64.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.679 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.56 -21.49 60.34 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.269 -172.706 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -76.85 -37.06 56.31 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -67.55 -42.92 81.86 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.108 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -52.14 -40.64 61.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.228 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -64.5 -31.8 73.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.388 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -61.32 -37.52 83.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.448 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 1.4 m-85 -65.57 -42.03 92.22 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.409 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.75 -26.62 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 98.6 mt -94.68 17.69 12.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.161 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.649 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.3 OUTLIER 53.41 10.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.743 1.217 . . . . 0.0 113.267 177.058 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -95.55 87.69 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.422 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.15 -10.56 59.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 20.2 t70 -58.31 -56.81 17.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.46 -31.47 70.47 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.1 mm -57.92 -50.83 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' PHE . 47.4 t -60.9 -43.98 96.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.2 mm-40 -52.9 -41.8 64.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.035 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -94.37 22.47 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -101.06 146.94 26.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.843 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 15.2 t70 -48.34 140.13 9.99 Favored Pre-proline 0 C--O 1.223 -0.296 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.204 175.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.3 -37.6 94.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.397 2.064 . . . . 0.0 112.028 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.27 -38.71 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.611 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.4 mmt180 -75.99 -29.93 58.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 110.281 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -68.13 -25.19 65.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.692 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.49 -23.45 65.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.492 174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -96.51 -29.2 14.02 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.178 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.85 135.61 56.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 111.791 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.02 147.17 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.799 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -59.74 -48.56 81.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.141 -173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.67 -39.46 73.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.843 -176.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.61 -46.69 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.518 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -58.38 -38.03 76.45 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.082 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.2 ttt180 -68.21 -45.06 74.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.935 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.3 -38.21 26.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.057 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.584 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 20.7 t-105 -59.51 -51.68 68.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.649 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.1 ptt? -71.23 -20.08 62.3 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.738 0.304 . . . . 0.0 111.388 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mm-40 -76.93 -27.06 54.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.768 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -105.98 -19.77 13.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.6 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -105.81 101.38 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.758 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.5 t70 -81.12 93.37 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -61.33 127.37 31.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.082 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.41 -49.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.005 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 34.8 tt0 -148.44 152.17 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 -172.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -128.14 125.94 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -128.08 99.36 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.227 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.01 128.58 38.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.118 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 91' ' ' GLU . 85.4 mt -95.09 -59.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.45 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.97 160.44 28.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.001 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.5 p -138.07 149.46 46.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.715 0.293 . . . . 0.0 110.53 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.551 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 20.9 m -149.5 118.91 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -110.93 114.5 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 74.0 mmtt -115.15 90.25 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.221 -176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.02 -92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.37 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -122.59 -4.48 8.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -105.21 132.41 51.45 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 174.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.82 159.9 19.44 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.063 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 110' ' ' SER . 87.8 m -157.07 127.84 6.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.95 129.42 60.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.161 0.505 . . . . 0.0 110.035 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 79' ' ' LEU . 40.3 tt0 -100.28 134.39 43.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.774 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.82 171.68 19.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 107' ' ' HIS . 71.8 mt -125.74 114.11 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.131 175.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.11 115.79 28.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.042 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.552 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.3 ttm-85 -94.82 122.78 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.8 161.83 37.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.217 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 69.4 ttt180 -89.84 111.71 22.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 -170.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.774 0.239 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.99 158.61 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -154.81 144.14 21.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.427 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 11.8 p -120.44 111.85 18.24 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -89.84 104.33 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.512 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' HB2' HG12 ' A' ' 93' ' ' ILE . 7.1 t-160 -90.7 109.51 20.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.7 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.92 173.7 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.256 0.551 . . . . 0.0 111.018 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -131.01 103.04 6.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' THR . 22.9 t -93.09 135.14 34.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.663 -170.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.92 138.79 33.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.12 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.91 146.43 50.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.144 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -104.3 126.68 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.941 0.497 . . . . 0.0 109.81 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 63.3 tttt -91.86 110.98 22.34 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.25 135.79 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.545 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 63.21 19.74 11.85 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.78 -15.59 62.27 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.912 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -100.14 156.87 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.648 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.497 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 79.0 m95 -97.81 140.85 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.374 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.1 139.75 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.183 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -69.83 113.17 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.887 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.6 m -89.06 -45.94 9.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.168 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -177.98 147.58 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.697 0.284 . . . . 0.0 110.678 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.85 143.74 15.32 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -143.16 144.14 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.08 0.467 . . . . 0.0 110.553 -179.535 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 4.4 t . . . . . 0 C--O 1.231 0.121 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.4 m -68.0 78.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-O 122.208 1.004 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.747 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 71.7 m -161.79 169.64 21.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.941 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.71 48.9 2.7 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 168.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -163.53 103.54 0.94 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.07 -2.17 6.36 Favored Glycine 0 CA--C 1.521 0.427 0 O-C-N 123.305 0.378 . . . . 0.0 113.682 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.0 mtmt -61.96 165.13 5.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 0.0 111.212 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.3 p -68.55 -176.85 0.84 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.307 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.23 -56.33 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 173.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.526 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 6.9 p-10 -67.53 -49.76 61.85 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.257 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.18 -21.45 59.45 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.747 0.308 . . . . 0.0 111.494 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' THR . 3.5 t -111.21 -81.36 0.58 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.73 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -73.82 -21.5 60.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -174.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.68 -55.17 18.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 114.485 0.554 . . . . 0.0 114.485 -169.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 31.0 Cg_endo -65.24 -29.06 55.48 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.329 2.02 . . . . 0.0 112.494 -178.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.28 -51.45 13.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.06 -22.33 60.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.084 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.01 -11.04 60.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.457 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 64.55 10.23 5.69 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.303 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -89.18 -33.56 16.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.238 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 69.8 ttt180 -121.74 142.84 49.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.079 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -86.88 141.77 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -54.74 -33.84 61.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.006 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.65 11.61 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.254 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 137.87 0.87 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.689 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.06 -49.56 7.85 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.815 2.343 . . . . 0.0 111.893 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.9 pt-20 -59.61 -39.95 85.9 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.192 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -60.82 -40.8 94.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.619 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD11 ' HB ' ' A' ' 50' ' ' THR . 1.6 tm? -66.94 -42.61 84.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.228 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.99 -51.75 59.96 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.4 -22.7 61.83 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.765 -173.712 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 m -76.47 -39.7 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.76 -43.95 94.07 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.139 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.07 -45.52 92.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.664 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.47 -39.26 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.629 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.66 -35.91 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -61.77 -41.6 97.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 110.201 174.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.51 62.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 88.6 mt -97.06 17.3 17.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.154 176.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.04 19.06 0.25 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.537 1.135 . . . . 0.0 113.282 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -93.36 80.94 4.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.401 0.619 . . . . 0.0 109.911 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.443 ' HE2' ' HB3' ' A' ' 61' ' ' HIS . 46.1 p90 -72.68 -26.11 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.331 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.96 -38.06 82.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.785 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 66.3 t80 -60.71 -36.3 78.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.128 0.49 . . . . 0.0 110.327 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 38' ' ' ALA . 35.8 mm -58.86 -51.95 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.69 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.5 t -53.96 -39.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.733 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.24 -38.29 90.58 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.797 0.332 . . . . 0.0 111.297 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.421 ' HB ' HD11 ' A' ' 31' ' ' LEU . 9.1 p -91.81 18.37 7.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.212 0.529 . . . . 0.0 111.379 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -97.86 150.9 20.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 9.3 t70 -48.33 132.11 13.03 Favored Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.03 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.93 -28.43 23.89 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.868 2.379 . . . . 0.0 112.325 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.66 -38.48 39.33 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 110.593 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 122' ' ' SER . 53.7 mmm-85 -81.84 -26.82 33.94 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -61.76 -35.38 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.862 -173.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.08 -24.74 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.752 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.31 -13.7 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.261 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.53 93.18 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -73.67 114.64 12.17 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.731 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 66.9 m80 -53.93 -38.83 65.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.721 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.47 -55.0 36.9 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.785 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.25 -41.36 91.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -57.42 -36.83 71.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.949 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 32.4 ttp180 -78.11 -51.62 9.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.223 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.62 60.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.568 -172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -70.72 -41.29 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.091 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.9 ptt? -71.95 -22.92 61.39 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.077 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 42.1 mt-10 -64.73 -48.27 75.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.567 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.09 -15.97 59.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.026 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 m -112.62 92.67 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 111.144 -174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.34 111.53 7.62 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.5 m-85 -77.4 122.12 24.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.461 0.172 . . . . 0.0 110.873 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.44 -56.99 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 33.0 tt0 -126.0 125.3 42.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -100.75 122.63 43.7 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 168.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 21.7 ttm180 -118.18 97.43 5.79 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -82.06 109.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.754 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 mt -73.66 -44.91 55.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.352 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.78 167.42 36.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.22 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -151.4 113.32 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 m -119.72 118.85 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.59 114.52 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -110.05 83.78 1.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.64 -119.78 13.22 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.097 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 m -92.28 -0.37 57.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.8 tmm_? -116.37 131.86 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -127.12 141.94 13.07 Favored Glycine 0 CA--C 1.506 -0.497 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.104 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 m -126.41 128.17 46.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 p -129.89 117.61 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.299 0.571 . . . . 0.0 110.303 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -94.84 125.54 39.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.456 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.88 176.25 9.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.534 . . . . 0.0 111.508 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 88.5 mt -133.63 117.82 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.196 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.98 108.88 20.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 41.5 ttm180 -96.01 123.17 39.5 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -141.89 145.34 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.788 -177.442 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -90.2 107.7 19.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 98' ' ' ARG . 1.2 ptm180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -168.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo . . . . . 0 C--O 1.237 0.44 0 N-CA-C 113.79 0.65 . . . . 0.0 113.79 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.23 123.2 31.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.523 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.74 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.1 p -122.91 112.41 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 110.637 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -94.82 125.19 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.405 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -114.68 102.46 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.505 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -122.56 169.48 10.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 110.986 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -127.92 101.36 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.1 m -94.2 132.95 38.22 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.349 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -98.87 137.55 37.28 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.977 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.46 138.38 53.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.801 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -103.85 131.08 51.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -89.52 107.06 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.955 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.93 132.92 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 61.19 21.37 11.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.589 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.94 57.85 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.484 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -93.36 152.31 19.22 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -99.64 131.03 45.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.16 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.74 142.51 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.628 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 50.0 t80 -68.46 116.22 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.0 m -93.54 -55.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -153.83 149.86 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.507 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -137.22 86.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.649 -0.581 . . . . 0.0 111.649 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.06 139.07 30.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.537 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 9.9 t . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.677 0.275 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.65 49.38 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.69 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -174.18 159.01 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 78.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 O-C-N 123.395 0.435 . . . . 0.0 113.302 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 m -161.67 119.05 2.21 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.81 50.47 2.97 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.481 -0.39 . . . . 0.0 113.026 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 29.5 mtmt -140.49 173.64 11.3 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 81.9 p -69.67 -176.99 1.13 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.848 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.58 -58.74 4.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.9 -40.42 96.46 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.85 -44.02 91.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.958 0.409 . . . . 0.0 110.684 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 8.5 t -87.43 -82.97 0.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 58.8 m -73.75 -20.12 60.59 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.98 -54.55 22.22 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.386 -0.674 . . . . 0.0 114.214 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -62.47 -30.69 80.3 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.479 2.119 . . . . 0.0 112.606 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.6 -51.26 24.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 110.14 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.81 -21.14 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.86 -3.25 47.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.838 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 59.77 16.37 5.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.819 0.448 . . . . 0.0 111.454 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.8 t -93.23 -27.77 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.579 0.228 . . . . 0.0 111.417 -176.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 61.8 ttt180 -129.42 134.4 47.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.366 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 p -88.85 133.56 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.179 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.81 80.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.78 13.56 2.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.298 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 t -148.09 137.29 11.97 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.59 -49.96 13.23 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.809 2.339 . . . . 0.0 112.204 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 5.6 pt-20 -64.53 -43.23 94.67 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.977 0.417 . . . . 0.0 110.422 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -61.12 -37.23 82.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.781 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 3.2 tm? -75.58 -43.1 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.576 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.485 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.86 -35.19 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.075 -176.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -75.34 -27.12 59.09 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -177.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 20.9 p -77.31 -34.99 55.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 47' ' ' ILE . 19.2 ttt180 -63.63 -43.82 95.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.249 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.88 -45.77 74.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.09 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.48 -36.95 85.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.85 -47.46 85.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -19.08 64.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.56 19.46 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.664 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 48.26 21.35 0.34 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.744 1.217 . . . . 0.0 112.965 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.67 58.57 5.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 109.955 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.613 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 40.4 p90 -65.13 -19.62 66.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.575 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 30.5 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.16 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -56.22 -32.86 64.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' A' ' 38' ' ' ALA . 31.7 mm -63.78 -52.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 60.7 t -56.21 -39.79 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.526 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 39.3 mt-10 -64.07 -40.11 95.54 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.883 177.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 p -85.09 12.82 7.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.36 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.31 150.51 20.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' A' ' 113' ' ' ARG . 14.9 t70 -56.58 136.83 77.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.73 -38.16 55.75 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.764 2.309 . . . . 0.0 112.341 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.31 -37.79 63.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.548 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.6 -23.53 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.7 ttp180 -68.2 -27.56 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.043 174.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.55 -5.92 19.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.271 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.7 t80 -95.87 87.76 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.196 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.0 131.67 43.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.674 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 48' ' ' VAL . 79.2 m80 -58.63 -38.47 78.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.84 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.33 -51.03 65.99 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.3 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.66 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 37.5 m-80 -61.16 -43.54 98.72 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 18.3 ttp180 -65.75 -53.51 39.62 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -54.77 -39.91 68.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.377 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -61.13 -53.05 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -67.14 -22.97 65.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.695 -178.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 22.1 mm-40 -74.76 -37.27 62.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.4 pt-20 -94.66 -1.78 52.5 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.693 0.283 . . . . 0.0 111.366 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -138.71 99.68 3.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.801 0.334 . . . . 0.0 110.181 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 35.6 t70 -80.31 98.72 7.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.262 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 97.0 m-85 -60.83 137.29 58.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.062 0.458 . . . . 0.0 111.604 -175.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 mt -122.36 -51.05 1.98 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.477 -172.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.33 149.13 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.059 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 tp -114.44 145.51 41.78 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 30.1 ttt85 -138.62 99.47 3.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.94 136.68 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.246 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.6 mt -109.51 -58.89 1.98 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 110.968 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.79 166.99 28.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.057 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.6 p -162.59 143.65 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.747 0.274 . . . . 0.0 111.048 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -148.95 135.89 19.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.235 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 38.1 tt0 -116.64 115.32 25.47 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -109.75 50.75 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.228 0.537 . . . . 0.0 109.702 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.96 -104.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.483 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 14.6 m -85.97 -14.16 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -177.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -117.11 134.01 55.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.36 154.51 25.13 Favored Glycine 0 CA--C 1.509 -0.29 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.322 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -139.54 138.54 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 5.1 p -143.34 134.81 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 109' ' ' ARG . 39.9 tt0 -110.74 136.04 50.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.396 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -156.77 171.75 19.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.0 111.049 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 107' ' ' HIS . 81.0 mt -126.29 122.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.247 175.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.15 118.38 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -94.13 122.0 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.5 p90 -139.25 155.8 47.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.131 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.506 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 12.4 ttp85 -88.94 110.69 21.32 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.633 -172.097 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.237 0.432 0 N-CA-C 113.111 0.389 . . . . 0.0 113.111 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.21 108.95 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -98.75 140.54 32.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.553 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 p -115.01 114.2 25.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 15.1 t60 -92.9 107.11 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.877 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.5 t-160 -103.17 120.04 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.47 176.25 10.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.116 0.484 . . . . 0.0 110.33 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 91' ' ' GLU . 33.6 ttm180 -128.56 101.79 6.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.7 m -92.31 135.61 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 23.1 mp0 -101.31 140.5 35.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -125.67 164.98 19.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.97 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.462 HH21 ' CG ' ' A' ' 52' ' ' ASP . 24.0 ttp180 -129.06 132.16 47.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.986 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 66.7 tttt -94.61 106.46 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.764 -173.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.432 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -117.53 123.66 46.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.11 23.19 8.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.338 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.33 67.68 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.073 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -91.18 137.16 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.461 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 83.4 m95 -91.04 128.16 36.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.838 0.352 . . . . 0.0 110.596 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 115' ' ' ALA . 86.7 m-85 -119.52 134.81 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.65 120.7 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.971 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 m -100.81 -46.13 5.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.9 pt-20 -165.93 170.32 13.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.28 31.08 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.3 138.14 9.79 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.964 0.382 . . . . 0.0 111.22 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 173.002 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.555 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.8 m -68.62 76.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.937 0.875 . . . . 0.0 110.263 172.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 57.7 m -166.33 139.43 3.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.706 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.88 87.22 0.02 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 p -169.19 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 0.0 110.174 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.26 -22.38 35.18 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.986 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.1 mtmt -68.38 162.38 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.481 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 32.2 p -69.57 179.15 2.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.88 -50.8 72.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.15 -56.57 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.31 -26.61 66.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.9 t -100.93 -80.66 0.49 Allowed 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.4 m -74.15 -21.31 59.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.35 -55.88 14.79 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.523 -0.598 . . . . 0.0 114.421 -170.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.5 Cg_endo -65.95 -30.03 48.78 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.19 1.927 . . . . 0.0 112.693 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.12 -51.5 13.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.788 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.13 -25.96 65.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -10.59 59.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 49' ' ' GLU . 6.2 mmt85 65.11 6.82 3.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.679 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -80.38 -23.1 40.7 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.253 -174.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -142.24 134.11 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.732 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 m -84.98 140.1 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.108 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.85 78.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.88 9.67 3.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.148 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.9 m -148.88 136.31 10.96 Favored Pre-proline 0 C--O 1.235 0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.18 -45.11 40.48 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.635 2.224 . . . . 0.0 111.965 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.31 -42.5 96.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.47 -18.98 63.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.582 HD11 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -90.22 -47.66 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.55 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 4.4 ppp? -61.32 -42.6 98.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.14 -172.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.61 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.5 -22.97 62.59 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.377 -178.213 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 m -76.02 -41.88 49.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.582 ' HD2' HD11 ' A' ' 31' ' ' LEU . 40.9 mtp180 -66.45 -38.71 87.97 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.032 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' PHE . 76.3 t80 -52.91 -47.48 67.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.393 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -63.21 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.905 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.98 88.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.546 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE1' HG13 ' A' ' 47' ' ' ILE . 3.5 m-85 -65.18 -47.42 77.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.885 0.374 . . . . 0.0 110.498 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.35 -28.54 70.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.3 mt -98.76 17.62 18.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.93 25.07 0.09 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.589 1.156 . . . . 0.0 113.247 -179.373 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -96.89 64.47 2.03 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 29.9 p90 -67.26 -10.82 54.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.718 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 24.5 t70 -56.43 -50.53 71.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.433 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.12 -32.71 74.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 ' O ' ' A' ' 35' ' ' ARG . 27.1 mm -55.35 -52.22 48.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.661 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 39.2 t -56.88 -42.76 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.62 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 21' ' ' ARG . 36.3 mt-10 -60.15 -42.6 95.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -91.7 21.3 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.171 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -97.65 150.74 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.66 135.05 45.2 Favored Pre-proline 0 N--CA 1.463 0.199 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.804 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.76 -35.02 67.52 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.581 2.187 . . . . 0.0 112.152 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.99 -33.62 65.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.4 mmm180 -85.26 -32.0 22.8 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.86 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 43.8 ttp180 -66.58 -20.57 66.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.941 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.81 -31.24 70.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.654 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.2 mp -90.77 -32.7 16.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.58 ' HD2' HD22 ' A' ' 64' ' ' ASN . 2.8 m-85 -56.7 124.73 19.4 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -174.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 63' ' ' VAL . 6.4 m-20 -111.16 140.19 45.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 167.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -61.37 -37.88 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.658 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.51 -37.72 88.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.701 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 60' ' ' ASP . 44.3 t -71.01 -37.1 66.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.065 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.58 HD22 ' HD2' ' A' ' 59' ' ' PHE . 4.4 m-20 -62.07 -37.98 87.09 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 11.9 ttm180 -64.43 -46.54 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.956 174.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -52.63 -46.91 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.392 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 15.2 m0 -56.47 -52.83 63.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.425 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 10.6 ptm -66.26 -21.64 66.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.348 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -78.4 -44.0 26.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -91.03 -6.08 54.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 111.09 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -131.63 91.22 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.962 171.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.11 89.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.986 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 97.8 m-85 -58.8 114.53 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.875 0.369 . . . . 0.0 111.627 -175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.7 -61.45 1.39 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.335 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -127.5 141.71 51.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.831 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.7 tp -110.38 131.91 54.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 171.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.659 ' NH2' HH22 ' A' ' 95' ' ' ARG . 26.4 ttm180 -125.5 98.19 5.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.78 130.15 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.992 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 mt -105.09 -56.5 2.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.948 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.93 164.83 31.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.167 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -159.27 152.27 22.07 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.716 0.293 . . . . 0.0 110.975 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -149.08 135.47 19.34 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.21 115.07 29.59 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -107.97 53.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 0.0 109.547 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.79 -107.79 3.33 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.991 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.587 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 71.2 m -101.68 9.17 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.784 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.524 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -138.3 133.35 32.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.404 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.82 179.56 24.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.773 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.7 m -152.39 149.96 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.423 0.289 . . . . 0.0 110.262 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 2.4 p -146.04 124.1 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 109.982 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.45 137.47 34.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.654 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -155.08 -178.22 7.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 77.9 mt -129.52 110.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.301 174.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.69 109.17 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.873 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.659 HH22 ' NH2' ' A' ' 77' ' ' ARG . 39.0 ttm180 -97.46 138.18 35.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.48 151.45 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.216 0.531 . . . . 0.0 111.364 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -93.01 130.16 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.664 -176.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 121.116 0.381 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -98.82 138.79 35.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.935 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -128.92 137.53 51.47 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 32.3 m -114.98 130.67 56.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.094 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -113.64 127.69 56.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -105.42 101.18 10.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.74 170.81 8.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.68 0.752 . . . . 0.0 111.419 -176.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -137.25 101.49 4.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -99.96 137.7 38.05 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.062 0.458 . . . . 0.0 111.558 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.524 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.8 mp0 -97.63 139.66 33.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.694 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -124.94 150.35 46.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.693 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -111.48 148.15 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 77.9 tttt -113.4 129.01 56.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.759 0.314 . . . . 0.0 110.584 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -142.16 125.82 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.192 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 4.0 mpt_? 56.34 26.52 10.71 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 93.01 -20.01 48.52 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.257 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 143.39 27.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.084 0.442 . . . . 0.0 109.896 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -97.83 141.81 30.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -130.58 141.93 50.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.526 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -71.95 118.12 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.984 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.7 m -93.8 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -143.24 139.29 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.678 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.21 106.92 0.78 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.11 167.75 13.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.447 0.299 . . . . 0.0 110.205 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.41 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 177.929 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 6.4 t . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.604 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 6.8 m -57.91 87.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.788 0.804 . . . . 0.0 109.786 172.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 97.5 m -171.64 164.0 6.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.406 -173.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.75 59.21 2.99 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 p 179.4 117.24 0.05 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.669 0.788 . . . . 0.0 109.214 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.08 10.84 8.93 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.893 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -70.49 166.32 20.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.081 0.44 . . . . 0.0 110.027 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 57.6 p -73.16 175.97 6.29 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.007 0.432 . . . . 0.0 111.436 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.03 -58.13 9.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.53 -41.68 98.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.15 -47.19 80.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.512 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.9 OUTLIER -84.8 -74.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.937 -177.02 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 55.9 m -74.14 -24.06 59.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.63 -55.27 14.24 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.558 -0.579 . . . . 0.0 114.466 -169.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.1 Cg_endo -63.83 -30.19 68.19 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.279 1.986 . . . . 0.0 112.565 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.5 mm? -75.59 -49.58 18.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.99 -25.49 64.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.01 -7.14 47.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.331 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 61.57 14.02 5.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.178 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -105.34 -6.41 19.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.575 -172.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -130.44 135.19 47.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -90.1 122.62 33.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.567 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.26 68.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.666 0.269 . . . . 0.0 111.249 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.02 7.32 2.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.503 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -150.62 136.35 10.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.1 -42.05 61.4 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.523 2.149 . . . . 0.0 112.22 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -71.87 -30.7 65.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -178.42 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -73.07 -36.32 66.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 110.668 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -75.64 -38.63 58.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.593 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 20.4 ptm -64.18 -50.18 69.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' N ' ' HG3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.86 -24.29 58.55 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.007 -172.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 p -72.17 -47.47 50.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -69.23 -32.36 71.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 178.39 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -51.54 -43.9 62.5 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.97 0.414 . . . . 0.0 110.657 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.578 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.846 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.11 -37.43 85.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.561 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 2.1 m-85 -62.65 -41.99 99.36 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.214 175.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.38 69.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -91.01 15.12 12.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.43 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.591 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 45.58 23.41 0.14 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.459 1.103 . . . . 0.0 112.591 -178.078 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.95 85.67 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.58 . . . . 0.0 109.966 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.4 p90 -71.77 -13.61 61.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.548 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.43 -55.2 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.407 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -64.28 -32.77 74.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.977 0.418 . . . . 0.0 110.692 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 35' ' ' ARG . 51.6 mm -62.23 -53.08 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 44' ' ' PHE . 40.7 t -55.1 -41.96 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.86 -177.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.06 -31.47 71.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 p -91.59 19.39 6.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.282 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.271 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 12.2 t70 -50.08 135.56 22.02 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.171 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.72 -33.97 72.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.706 2.27 . . . . 0.0 112.127 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -78.55 -33.97 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 43.8 mmt-85 -80.19 -25.89 39.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.225 0.536 . . . . 0.0 110.141 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.42 -27.23 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.46 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.4 -44.28 95.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.196 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.62 -25.87 61.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.345 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.84 102.94 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.376 174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.47 143.45 37.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -54.61 -47.31 73.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -170.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.66 -47.8 83.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 111.097 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.23 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.357 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -58.36 -36.6 73.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 42.7 ttp180 -76.97 -46.21 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.123 178.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.88 -40.57 30.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.369 -174.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -58.21 -54.71 43.87 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.611 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.591 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 15.8 ptm -65.05 -30.28 71.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.314 -174.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 33.4 mt-10 -63.53 -29.76 70.98 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.6 10.33 21.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.738 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -135.24 76.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.673 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.58 93.18 0.15 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.356 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.9 m-85 -58.73 131.34 50.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.048 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.16 -51.12 2.64 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -150.84 148.14 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.613 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.6 tp -120.11 126.89 51.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.205 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -115.44 98.67 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -82.53 126.79 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.421 HD12 ' HG2' ' A' ' 91' ' ' GLU . 68.5 mt -95.36 -60.18 1.72 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.061 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.14 29.52 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.616 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -137.17 157.48 46.57 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.688 0.28 . . . . 0.0 110.393 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.1 m -150.07 135.05 17.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.174 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.63 114.99 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -105.03 80.79 1.65 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.1 -94.42 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.563 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 m -117.4 3.42 12.52 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -128.61 133.5 48.33 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.57 175.86 18.12 Favored Glycine 0 CA--C 1.505 -0.57 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.76 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -154.39 141.05 18.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.509 HG21 ' SD ' ' A' ' 32' ' ' MET . 7.3 p -134.54 131.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.87 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.4 tt0 -100.21 138.82 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.415 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -154.81 179.51 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.21 0.528 . . . . 0.0 111.664 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 68.4 mt -134.29 113.17 16.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.194 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.12 113.98 26.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.375 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -95.62 121.08 36.95 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.9 p90 -143.77 155.24 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.068 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.5 ttp180 -89.84 107.8 19.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 -174.202 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo . . . . . 0 CA--C 1.533 0.431 0 N-CA-C 113.699 0.615 . . . . 0.0 113.699 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.5 mt-10 -83.11 112.22 19.61 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.758 175.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -100.65 142.61 31.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.001 0.429 . . . . 0.0 110.139 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.0 p -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.5 119.19 34.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -102.23 101.06 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.062 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 -176.17 3.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -136.84 104.46 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 p -92.43 131.47 37.56 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 125' ' ' GLU . 24.2 mp0 -96.83 135.77 38.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.371 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.68 159.16 25.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.391 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -122.96 142.48 50.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.727 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -105.89 113.82 27.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.196 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.14 129.69 34.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.784 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.47 19.27 11.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 109.624 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.56 63.05 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.483 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 3.8 mpt_? -93.85 157.03 16.33 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -104.9 140.14 38.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -131.79 141.95 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.088 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -70.81 117.48 12.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.685 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.4 m -97.92 -52.44 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 111.212 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -159.2 178.26 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.805 -174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -156.4 134.72 4.18 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' HG2' HE22 ' A' ' 111' ' ' GLN . 12.6 pt-20 -125.62 153.69 43.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 110.245 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.223 179.676 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.33 0.109 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.83 45.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 110.856 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.32 133.13 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.49 85.0 0.01 OUTLIER Glycine 0 C--N 1.336 0.531 0 O-C-N 123.748 0.655 . . . . 0.0 113.732 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.54 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 23.7 m -132.93 -11.62 2.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.563 0.221 . . . . 0.0 111.244 175.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.75 24.54 69.85 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.005 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.4 mmmt -128.07 166.63 18.07 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.863 0.465 . . . . 0.0 110.325 -173.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 70.4 p -75.09 -171.99 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 176.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -75.3 -55.77 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.503 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 m-20 -58.01 -45.11 87.39 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.553 -174.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' HB3' ' HE3' ' A' ' 9' ' ' LYS . 7.2 m-20 -70.98 -40.32 71.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 41.0 t -88.02 -93.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.455 -170.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 99.5 m -74.26 -20.29 60.2 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -52.12 -54.8 24.5 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.658 -0.523 . . . . 0.0 114.361 -173.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 29.6 Cg_endo -63.47 -26.7 70.28 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.227 1.951 . . . . 0.0 112.413 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.7 mm? -75.2 -51.11 14.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.218 0.533 . . . . 0.0 109.736 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.37 -26.08 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.31 -12.52 60.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.671 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 63.55 27.76 15.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.033 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -111.42 -25.91 9.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.458 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.8 ttm180 -122.47 136.18 54.83 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.869 0.366 . . . . 0.0 111.182 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 p -87.43 133.55 33.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.268 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.55 76.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.392 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.46 18.56 6.99 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.645 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.5 t -159.16 139.0 8.63 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.06 -45.45 27.95 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.629 2.219 . . . . 0.0 112.028 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB3' ' OG ' ' A' ' 81' ' ' SER . 7.7 pt-20 -67.51 -43.3 81.2 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.557 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -63.77 -19.96 65.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.997 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB ' ' A' ' 50' ' ' THR . 2.6 tm? -89.86 -41.87 11.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.651 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.3 tmm? -61.45 -50.38 73.01 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.614 -173.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.455 -176.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.676 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 m -75.98 -43.62 43.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 32' ' ' MET . 34.7 ptt180 -62.65 -37.63 87.12 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.036 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 64.1 t80 -56.38 -43.81 79.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 110.211 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.85 78.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.64 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.5 85.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.774 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' HG13 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.71 -39.4 93.58 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.723 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.35 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' LYS . 97.7 mt -95.62 6.68 48.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.704 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 75.29 -27.38 0.19 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.283 0.633 . . . . 0.0 112.561 177.53 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.41 78.9 0.39 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.158 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -71.87 -9.82 58.88 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.02 0.438 . . . . 0.0 110.528 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.19 -45.47 53.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.685 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 75.4 t80 -60.41 -34.06 73.4 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 35' ' ' ARG . 38.2 mm -60.59 -48.2 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 109.645 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 56' ' ' ARG . 25.7 t -59.46 -34.85 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.095 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -71.62 -20.27 62.0 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.707 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.512 ' HB ' HD11 ' A' ' 31' ' ' LEU . 21.2 p -113.63 22.68 13.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 111.513 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -118.02 134.77 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' N ' ' HB3' ' A' ' 120' ' ' TYR . 1.8 m-20 -52.54 139.06 39.77 Favored Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.125 0.266 . . . . 0.0 110.442 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 56' ' ' ARG . 10.3 Cg_endo -50.2 -34.78 40.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.042 2.495 . . . . 0.0 112.351 -174.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.964 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -87.77 -31.47 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.229 0.537 . . . . 0.0 109.933 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 20.4 ttt180 -60.86 -35.06 75.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.238 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.19 -33.0 74.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.366 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.5 mt -78.75 -19.87 51.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -68.49 110.53 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.15 136.83 37.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.775 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -57.07 -45.18 83.48 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.351 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.48 -51.15 70.7 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.477 0.656 . . . . 0.0 110.315 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.28 -49.19 74.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.125 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.16 -32.13 71.85 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.8 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 41.8 ttt-85 -70.47 -45.79 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.27 -37.92 49.91 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.874 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -55.73 -57.26 12.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.028 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -67.71 -25.91 65.91 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.73 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 16.2 mm-40 -63.19 -38.58 91.75 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.73 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HB2' ' NH2' ' A' ' 98' ' ' ARG . 12.7 pt-20 -113.99 18.91 16.93 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.676 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -145.1 101.76 3.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.811 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.26 107.75 17.44 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.3 m-85 -65.1 124.21 21.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.237 -175.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 96' ' ' PHE . 78.6 mt -101.03 -57.58 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 -175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -148.35 153.02 38.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.624 -171.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -125.86 127.84 46.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -130.45 109.9 11.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.158 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.19 129.05 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 91' ' ' GLU . 77.6 mt -94.95 -50.04 5.29 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.01 158.45 29.44 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.143 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 29' ' ' GLU . 44.8 m -148.17 144.11 27.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.2 m -147.35 119.21 8.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.0 124.42 43.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.924 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -117.96 90.92 3.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.55 -90.74 0.12 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.397 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -125.4 -4.18 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 111.069 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' A' ' 87' ' ' ARG . 1.7 tmm_? -114.38 133.16 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.61 166.05 25.15 Favored Glycine 0 CA--C 1.509 -0.331 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.605 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 m -146.42 143.13 28.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.4 132.37 31.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.987 0.422 . . . . 0.0 110.753 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.497 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.2 tt0 -104.3 139.84 38.72 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.66 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' ' HG ' ' A' ' 79' ' ' LEU . 23.0 p90 -157.85 -177.18 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -135.88 114.52 15.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.557 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.51 112.12 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.196 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -95.61 126.29 40.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.2 p90 -150.08 162.4 40.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.673 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -89.57 118.66 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 1.6 tpm_? . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.137 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 C--O 1.234 0.301 0 CA-C-O 121.162 0.401 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.46 106.74 17.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -98.33 141.41 31.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.986 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -125.32 112.62 16.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.923 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -88.9 114.97 26.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.812 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -97.12 108.96 21.8 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.94 175.42 9.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.157 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -138.14 107.91 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.468 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 14.9 p -100.75 134.05 44.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.825 0.345 . . . . 0.0 111.406 -175.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 1.3 mp0 -92.19 141.63 28.37 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.729 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.426 ' CE2' HD12 ' A' ' 31' ' ' LEU . 83.0 m-85 -126.68 146.92 50.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.843 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -117.09 133.92 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -92.27 114.22 26.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.968 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -133.27 136.07 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.154 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.87 24.63 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.333 0.587 . . . . 0.0 110.349 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.47 -18.19 53.23 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.102 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 157.0 16.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 117.017 0.409 . . . . 0.0 110.14 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -102.71 131.68 49.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.901 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 61.5 m-85 -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.441 . . . . 0.0 110.367 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.05 117.17 16.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.597 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -96.58 -44.5 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.781 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.8 pt-20 -166.78 158.23 12.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.474 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -152.86 123.74 1.49 Allowed Glycine 0 CA--C 1.517 0.158 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.154 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.45 143.58 45.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.529 0.332 . . . . 0.0 110.921 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 169.247 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.4 t . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.572 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.8 m -59.52 84.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 122.244 1.021 . . . . 0.0 109.81 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.572 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 99.2 m -171.27 153.48 3.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.843 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' LEU . . . -74.49 52.92 2.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.606 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -160.87 122.63 3.04 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.62 55.89 4.46 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.459 -0.401 . . . . 0.0 113.193 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 35.0 mtmt -124.26 163.49 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 82.0 p -68.51 170.46 9.05 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 111.233 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 39.6 t80 -59.33 -52.68 64.62 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.91 -55.17 38.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.852 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.13 -50.31 71.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.525 0.679 . . . . 0.0 110.731 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.4 t -79.77 -75.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.783 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.8 m -74.54 -24.99 59.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.63 -55.2 21.32 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 47.7 Cg_endo -70.27 -26.61 25.0 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.08 1.854 . . . . 0.0 112.421 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.32 -47.94 25.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.885 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 ' CG ' ' A' ' 46' ' ' TYR . 28.0 mt -61.36 -32.02 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.49 -6.02 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.89 16.27 3.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.21 -19.51 56.59 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.824 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 63.8 ttt-85 -130.78 130.02 43.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.706 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 p -86.44 126.86 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -51.16 -37.5 46.67 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.219 0.324 . . . . 0.0 111.232 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.96 15.44 9.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.664 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 p -159.49 141.88 10.02 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.814 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.45 -49.02 6.45 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.704 2.269 . . . . 0.0 113.072 -172.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -65.65 -30.08 70.74 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.686 0.279 . . . . 0.0 111.637 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -69.45 -49.07 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.172 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.2 tm? -61.24 -35.82 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.172 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 76' ' ' LEU . 16.5 tmm? -64.22 -50.21 68.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.446 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.41 -28.26 62.86 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.978 -175.514 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 51.8 p -69.79 -44.19 70.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.253 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -72.24 -32.5 66.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 -178.533 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 52.5 t80 -52.33 -44.92 65.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 110.537 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.92 -36.72 82.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -59.44 -36.17 75.42 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.75 -46.86 88.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.193 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.46 -17.9 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 93.5 mt -99.1 4.74 47.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.61 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 4.7 tppp? 70.53 3.38 4.48 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.247 0.546 . . . . 0.0 110.957 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.14 79.3 5.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.214 0.53 . . . . 0.0 110.557 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -72.65 -9.93 59.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.559 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.26 -51.08 70.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.718 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CG ' HD23 ' A' ' 19' ' ' LEU . 52.6 t80 -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.6 mm -62.63 -59.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.5 -35.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.658 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -67.5 -30.39 70.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.586 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.554 ' HB ' HD11 ' A' ' 31' ' ' LEU . 32.4 p -98.01 22.26 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -113.07 138.07 50.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.171 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.32 136.02 16.46 Favored Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 123.363 0.414 . . . . 0.0 109.978 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.91 -41.02 65.6 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 111.413 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.32 -28.86 67.19 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.2 mmt180 -99.25 -25.11 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.176 0.513 . . . . 0.0 110.285 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -64.13 -35.13 79.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.08 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.0 -27.12 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.138 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.6 -6.92 51.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.478 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -71.42 144.43 49.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 10.0 m-20 -118.98 129.29 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.225 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -59.56 -50.38 74.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.46 -48.01 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.035 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 60' ' ' ASP . 78.1 t -62.88 -36.2 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.729 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' HA ' ' CE3' ' A' ' 67' ' ' TRP . 33.0 t-20 -57.68 -46.23 84.55 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.394 0.616 . . . . 0.0 109.553 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 39.0 ttm180 -66.81 -42.23 86.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.382 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.93 -37.25 60.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 24.3 m0 -57.84 -52.73 64.29 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.139 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 17.8 ptm -69.15 -31.17 69.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.699 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 18.8 mm-40 -57.68 -45.65 85.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.947 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 12.0 pt-20 -99.45 12.93 35.04 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -146.39 79.99 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.811 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.66 101.44 1.03 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.959 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 87.6 m-85 -69.74 123.06 20.44 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.71 -175.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 96' ' ' PHE . 10.8 mp -93.54 -65.45 0.99 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.053 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.43 157.66 40.25 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.68 0.276 . . . . 0.0 110.691 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' SD ' ' A' ' 32' ' ' MET . 53.0 tp -110.23 150.4 28.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -176.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.89 103.88 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -85.83 109.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.66 0.266 . . . . 0.0 110.288 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.12 -64.38 1.15 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.816 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.0 153.03 24.74 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.316 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 p -135.27 153.24 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.621 0.248 . . . . 0.0 110.544 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -147.02 119.74 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.455 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -101.32 121.58 42.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -120.9 83.17 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.191 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.98 -90.1 0.21 Allowed Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.305 -0.474 . . . . 0.0 112.582 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -125.96 2.84 7.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 110.594 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -115.25 133.13 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.97 158.07 19.38 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.879 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -150.14 131.74 14.88 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.7 131.56 50.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -105.02 129.61 53.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.12 176.16 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.398 0.618 . . . . 0.0 111.861 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 105' ' ' SER . 66.4 mt -132.18 121.89 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.557 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.38 123.15 46.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -95.35 132.8 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.7 p90 -154.34 159.67 41.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.33 115.03 26.5 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 . . . . . 0 C--O 1.236 0.372 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.219 -176.02 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.233 0.259 0 N-CA-C 113.108 0.388 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.95 101.45 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.203 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -96.55 145.7 25.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 6.8 p -116.16 112.15 21.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.228 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 7.1 t60 -83.25 111.59 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.142 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 93' ' ' ILE . 10.1 t-160 -102.96 119.07 38.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.628 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 7.1 pt-20 -153.9 -175.98 5.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.003 0.43 . . . . 0.0 111.022 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -133.47 107.9 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.622 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 m -97.51 139.29 33.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.996 0.427 . . . . 0.0 111.31 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.92 141.34 31.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.066 175.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -128.1 148.53 50.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.634 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -120.87 131.56 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 0.0 110.386 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.99 110.1 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.63 131.13 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.188 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 61.84 21.96 12.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.631 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.67 66.84 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.825 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -102.32 156.75 17.38 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -97.72 132.85 42.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.71 0.291 . . . . 0.0 110.34 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.88 158.63 33.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.362 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -82.73 119.31 24.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.529 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.57 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 18.4 m -91.98 -45.95 8.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.32 154.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.512 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.81 130.88 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -155.12 171.37 19.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.86 0.362 . . . . 0.0 110.681 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.028 179.851 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.7 t . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.7 m -68.13 73.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 122.229 1.014 . . . . 0.0 110.102 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 37.7 m -167.16 149.3 6.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.813 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.64 70.81 1.11 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 m -130.22 -36.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.681 0.277 . . . . 0.0 111.572 -171.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.44 22.2 78.84 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.071 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -129.54 171.55 12.47 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.564 0.221 . . . . 0.0 110.423 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.9 p -73.07 178.96 4.03 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 44.6 t80 -60.34 -50.52 73.29 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 174.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.31 -47.81 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.557 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.87 -32.14 71.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.93 -78.34 0.46 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.783 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.0 m -73.87 -21.17 60.19 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.89 -55.17 15.48 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.352 -0.693 . . . . 0.0 114.755 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 41.7 Cg_endo -68.45 -25.53 35.41 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.042 1.828 . . . . 0.0 112.442 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.8 mm? -75.44 -51.6 12.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.302 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 15' ' ' CYS . 39.0 mt -72.3 -21.89 61.28 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.541 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -72.03 -9.37 58.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.041 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 21' ' ' ARG . 11.2 mmm180 59.65 27.38 16.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.499 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.5 t -109.09 -24.56 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.436 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 14.4 ttm180 -123.81 145.9 48.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 111.48 -176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -96.09 134.69 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.51 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.966 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.29 13.15 6.75 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.007 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -159.7 140.47 9.05 Favored Pre-proline 0 C--O 1.235 0.3 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -60.49 -42.35 41.33 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.511 2.141 . . . . 0.0 111.592 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.6 -45.84 91.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.252 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -66.47 -29.26 69.34 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.67 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.0 tm? -72.64 -47.43 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.562 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.81 -50.69 65.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.811 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -65.72 -21.22 66.51 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.784 -174.351 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -76.3 -50.64 13.82 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.584 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 47' ' ' ILE . 21.0 ptt180 -67.31 -32.41 73.36 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.606 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 65.4 t80 -52.37 -42.29 63.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 110.471 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.642 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -67.56 -39.06 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.672 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.054 0.454 . . . . 0.0 110.214 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.917 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -29.65 68.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.244 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 98.5 mt -84.15 8.65 14.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 176.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 66.2 mmtt 68.32 6.54 5.38 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.478 0.711 . . . . 0.0 110.978 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.97 80.3 5.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 p90 -72.1 -11.84 60.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.75 -49.26 78.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.013 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.544 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 88.2 t80 -64.38 -32.77 74.52 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.358 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.3 mm -62.2 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.04 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 44' ' ' PHE . 95.5 t -54.85 -45.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.336 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 31' ' ' LEU . 20.6 p -83.1 10.03 9.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.938 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -98.55 147.91 24.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.7 t70 -50.21 134.6 23.44 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 123.854 0.721 . . . . 0.0 110.473 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.71 -27.29 33.19 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.15 -43.0 18.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 122' ' ' SER . 32.9 mmt180 -78.56 -19.41 52.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.02 -26.81 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.747 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.99 -23.84 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.688 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.22 -12.48 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.241 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -76.89 158.58 30.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.188 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -156.07 141.07 17.29 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.31 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -53.46 -44.71 69.15 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.756 -175.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.26 -55.18 36.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.417 0.627 . . . . 0.0 110.966 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.95 -43.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.145 -170.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -63.6 -39.29 94.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.487 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 10.6 tpt180 -62.5 -55.74 24.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.42 -46.48 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.815 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.76 -51.51 68.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.482 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.547 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -71.15 -18.25 62.51 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.741 0.305 . . . . 0.0 111.124 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.2 mm-40 -76.77 -55.28 5.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -82.56 -27.22 31.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.638 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.9 m -105.22 93.35 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 0.0 110.362 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.99 121.14 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.48 114.64 14.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.877 0.37 . . . . 0.0 111.261 -175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.8 -54.78 3.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.3 tt0 -148.08 149.08 31.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.313 -167.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 77' ' ' ARG . 3.3 tm? -127.18 137.0 52.84 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.454 ' N ' HD13 ' A' ' 76' ' ' LEU . 38.2 ttm180 -142.44 109.07 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 110.685 -176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.2 t -80.34 126.67 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.093 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.8 mt -96.65 -48.1 5.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.142 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.79 138.86 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.093 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -123.9 141.08 52.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -148.03 145.77 28.61 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.303 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -130.01 135.68 48.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.256 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -128.94 65.14 1.45 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.46 -104.07 1.3 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.947 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 m -96.81 5.48 50.5 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 111.281 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 113' ' ' ARG . 19.4 tpt180 -136.41 139.11 42.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.93 175.72 27.11 Favored Glycine 0 CA--C 1.508 -0.349 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.265 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.6 m -151.45 142.94 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.52 126.54 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.12 0.486 . . . . 0.0 109.913 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.88 132.81 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -155.96 179.0 9.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.379 0.609 . . . . 0.0 111.499 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.93 117.34 47.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.892 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.87 109.6 22.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 78.3 ttt180 -95.24 122.2 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.965 0.412 . . . . 0.0 110.227 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -143.42 169.78 17.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.155 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 54.1 ttp180 -89.76 122.01 32.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.249 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 CA--C 1.531 0.343 0 N-CA-C 113.489 0.534 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 65.3 mt-10 -98.01 171.55 8.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 174.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -161.41 146.45 13.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.242 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 p -129.2 111.84 13.32 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -85.65 107.49 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.359 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -91.43 101.11 13.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.54 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.23 166.09 15.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 111.096 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -132.89 101.26 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.432 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 73.6 m -107.64 141.27 39.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.242 0.544 . . . . 0.0 112.016 -171.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -97.94 143.25 28.72 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.251 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -127.24 140.85 51.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.485 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HB2' HH11 ' A' ' 87' ' ' ARG . 22.2 ttp180 -109.52 138.94 45.14 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' A' ' 117' ' ' GLY . 78.5 tttt -95.71 122.87 38.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.262 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.07 132.55 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.845 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 62.51 17.12 9.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.219 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 91.71 -14.79 63.17 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.224 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.52 148.34 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -98.3 136.77 38.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -125.42 136.0 52.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.169 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -62.79 112.54 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.207 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 56.3 m -95.4 -31.8 13.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.794 -173.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 178.6 159.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -151.05 146.69 15.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.85 164.37 36.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.471 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.484 0.183 . . . . 0.0 110.681 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.77 -14.85 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.853 0.461 . . . . 0.0 111.926 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 34.4 m -64.87 173.17 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.734 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.53 54.21 2.84 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -160.88 114.68 2.05 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.7 -9.7 59.49 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.974 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 22.0 mtmt -59.78 159.55 8.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -67.63 172.56 5.04 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.052 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -51.36 -55.7 17.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.247 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.4 -54.03 19.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.756 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.13 0.491 . . . . 0.0 110.971 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 t -93.2 -75.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.093 176.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 m -74.63 -26.57 59.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.23 15.23 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.637 0.615 . . . . 0.0 114.637 -168.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 58.0 Cg_endo -72.29 -25.28 18.78 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 122.021 1.814 . . . . 0.0 112.683 -178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.8 mm? -75.57 -50.73 14.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.14 -30.8 69.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' HD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 60.08 20.27 9.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.285 -176.767 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -84.55 -16.01 43.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 77.3 ttt180 -134.21 130.22 36.88 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 p -85.54 120.57 27.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.385 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.38 66.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.678 0.275 . . . . 0.0 111.154 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.84 15.72 8.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.942 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 40.3 t -146.95 137.52 12.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.14 -46.38 12.99 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.557 2.172 . . . . 0.0 111.818 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.0 pt-20 -62.57 -46.44 88.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -62.25 -40.49 96.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.3 tm? -70.6 -41.13 72.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 15.8 tmm? -62.57 -51.05 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.794 -175.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -74.83 -20.89 59.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.835 -175.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.403 ' HG ' HH11 ' A' ' 33' ' ' ARG . 56.5 m -72.59 -46.81 52.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.293 173.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 32' ' ' MET . 1.7 ptm180 -69.15 -34.7 75.41 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 34.0 t80 -51.38 -42.07 61.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 110.592 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.599 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -58.82 -33.44 70.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.792 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -58.87 -37.63 76.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 8.3 m-85 -63.69 -44.51 93.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 110.419 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.4 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 89.8 mt -99.22 15.64 25.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.682 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.1 OUTLIER 51.33 14.96 0.26 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.397 178.549 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 24.7 t70 -102.78 92.27 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.45 -13.63 61.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.219 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.9 -51.98 66.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.545 0.212 . . . . 0.0 111.011 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.446 ' HD1' ' HD2' ' A' ' 21' ' ' ARG . 32.3 t80 -61.56 -32.59 72.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 110.478 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 35' ' ' ARG . 44.7 mm -61.13 -56.14 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' PHE . 54.9 t -51.31 -45.65 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.611 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.85 -28.36 69.97 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.104 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.469 ' HB ' HD11 ' A' ' 31' ' ' LEU . 30.1 p -101.05 22.67 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.362 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.3 m -103.61 148.75 25.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.724 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.49 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 10.0 t70 -49.19 135.12 15.92 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.09 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.72 -33.77 71.46 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.47 2.114 . . . . 0.0 112.124 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.8 -12.88 55.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.536 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 36.5 mmt180 -101.03 -31.69 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.014 0.435 . . . . 0.0 110.413 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.733 -173.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 -30.7 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -84.06 -23.53 30.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.86 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' HD2' HD22 ' A' ' 64' ' ' ASN . 2.9 m-85 -62.26 126.3 26.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.32 145.14 40.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.108 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -61.78 -49.8 74.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.07 -42.21 99.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.504 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.65 -43.11 98.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.513 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.585 HD22 ' HD2' ' A' ' 59' ' ' PHE . 4.3 m-20 -62.91 -40.77 98.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.408 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.3 ttp180 -64.42 -48.43 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.109 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.92 -35.67 46.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.327 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.455 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 2.1 t-105 -59.65 -53.41 58.31 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.682 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.5 ptt? -71.75 -21.87 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 38.2 mt-10 -74.24 -35.69 63.85 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.465 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' TRP . 16.2 pt-20 -85.19 -7.88 58.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.865 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 p -158.42 107.05 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 111.327 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.99 109.58 14.56 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.8 m-85 -74.99 116.47 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.943 0.401 . . . . 0.0 111.913 -174.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -90.06 -56.43 3.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.746 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 38.5 tt0 -141.89 147.23 36.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.422 -167.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.64 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.1 tm? -117.89 142.36 47.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.906 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.481 ' N ' HD13 ' A' ' 76' ' ' LEU . 34.8 ttm180 -140.83 102.11 4.21 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.235 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.25 129.34 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 93' ' ' ILE . 78.0 mt -99.55 -50.17 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.605 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.45 161.35 29.14 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p -153.19 117.48 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.985 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.589 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 23.8 m -103.92 134.42 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.227 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.23 114.88 19.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 70.9 mmtt -117.26 51.08 1.04 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.257 0.551 . . . . 0.0 109.965 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.53 -97.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.876 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 18.0 p -92.2 -1.32 57.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.491 -175.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.0 tmm_? -144.11 142.24 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.581 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -153.77 -178.09 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.4 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -152.57 148.83 27.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -139.78 125.84 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.081 0.467 . . . . 0.0 109.852 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.87 132.52 50.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.085 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.0 177.31 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 79' ' ' LEU . 78.8 mt -123.16 115.95 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.567 175.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.42 116.38 28.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.008 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 55.0 ttt180 -94.99 116.79 29.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -136.61 175.71 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.319 0.581 . . . . 0.0 111.66 -177.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 47.9 ttt180 -114.38 107.51 15.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.2 ptt85 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 120.821 0.343 . . . . 0.0 110.775 -174.242 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.236 0.414 0 CA-C-O 120.951 0.313 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.8 mt-10 -76.73 155.48 33.2 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.807 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -161.22 146.41 13.91 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 p -106.35 150.76 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.846 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.64 104.82 7.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.071 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.463 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.9 t-160 -93.0 105.35 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.976 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 6.0 pt-20 -129.18 -177.62 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 111.445 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -134.35 107.14 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.821 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 m -98.98 126.9 44.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 111.408 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.96 143.12 27.28 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.953 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -134.39 142.19 47.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.736 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 ttm-85 -104.64 148.93 26.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 78.8 tttt -105.29 122.77 46.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.861 0.362 . . . . 0.0 110.682 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.43 139.73 27.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 63.78 10.43 5.14 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.364 0.265 . . . . 0.0 111.157 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.59 67.07 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -90.44 158.2 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -109.05 141.87 40.57 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.55 134.57 47.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.601 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.97 116.12 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.207 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 51.1 m -91.26 -50.14 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.622 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.44 150.8 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.11 156.56 25.64 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.4 pt-20 -163.65 146.84 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 110.833 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.139 176.167 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 2.5 t . . . . . 0 CA--C 1.518 -0.271 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.514 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.1 m -63.65 80.78 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 122.095 0.95 . . . . 0.0 110.032 173.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m -165.73 144.39 6.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.594 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.83 74.23 0.25 Allowed Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 p -174.23 134.56 0.43 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.04 57.14 3.97 Favored Glycine 0 C--N 1.329 0.151 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -124.4 156.64 36.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.702 0.401 . . . . 0.0 110.94 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.2 p -79.58 169.66 17.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.135 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 t80 -57.61 -54.12 50.4 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.768 0.318 . . . . 0.0 110.266 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.94 -53.52 20.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.97 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -53.52 -31.77 47.6 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.425 0.631 . . . . 0.0 110.663 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.7 t -94.04 -80.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.517 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.1 m -73.79 -21.47 60.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.64 -55.75 23.66 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 120.848 -0.691 . . . . 0.0 114.376 -170.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 56.5 Cg_endo -71.75 -25.31 20.53 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.151 1.901 . . . . 0.0 112.565 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.7 mm? -75.51 -51.5 12.81 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.84 -11.16 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.286 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 62.08 14.63 6.69 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.999 0.428 . . . . 0.0 110.886 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -99.28 -33.28 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.109 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 39.6 ttm180 -115.1 132.78 56.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.922 0.391 . . . . 0.0 111.245 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -83.75 132.96 34.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.325 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -59.68 -28.15 67.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.65 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 60.29 14.48 4.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.883 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 139.56 6.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.75 -53.44 4.49 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.937 2.424 . . . . 0.0 112.887 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 4.8 pt-20 -60.7 -40.12 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.181 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -60.65 -41.35 94.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 110.855 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.16 -41.48 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.747 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' NH2' ' A' ' 35' ' ' ARG . 12.9 tpt -65.58 -50.11 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.373 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -70.22 -21.83 62.97 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.499 -176.332 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -71.65 -41.48 68.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 33.9 mtm180 -63.08 -39.03 93.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.5 -46.74 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.6 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.626 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -62.71 -34.85 78.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.27 96.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.32 -37.55 85.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.184 177.474 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.35 66.96 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.508 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.26 16.89 22.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.229 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 45.36 21.62 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.257 1.023 . . . . 0.0 112.522 -175.645 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 61.39 5.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.199 175.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.4 p90 -63.18 -16.12 59.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.151 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.27 -39.92 61.05 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.87 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.461 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 59.5 t80 -70.73 -32.39 69.56 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.705 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.452 HG13 ' CD1' ' A' ' 39' ' ' TYR . 38.0 mm -63.17 -48.66 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.504 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.35 -34.28 69.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.181 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -62.56 -25.01 67.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.574 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -109.43 23.05 15.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 111.22 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 m -99.06 150.82 21.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.335 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 11.8 t70 -52.93 136.96 46.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.278 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.48 -33.35 46.89 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.934 2.423 . . . . 0.0 112.419 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.01 -47.16 16.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.748 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 13.5 mmt180 -70.77 -25.91 63.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.852 -175.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -59.34 -26.8 65.35 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.84 -32.36 70.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.143 0.496 . . . . 0.0 110.238 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.4 -20.86 43.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.798 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.97 120.81 17.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.022 0.439 . . . . 0.0 111.452 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -120.23 140.19 51.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.825 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.92 -42.01 95.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.729 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.62 -37.94 85.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.737 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.47 -46.22 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.5 -40.83 79.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 78.8 ttt180 -63.35 -46.14 87.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.481 177.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.66 -175.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 15.6 t90 -66.51 -43.02 86.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.5 ptt? -70.81 -19.54 62.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.328 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 32.8 mm-40 -78.41 -42.51 29.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.593 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 10.2 pt-20 -82.27 -8.3 59.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.227 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -143.83 107.06 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 111.74 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.08 109.87 19.14 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.4 m-85 -71.52 116.75 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.842 0.354 . . . . 0.0 111.656 -174.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.18 -50.27 6.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.012 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -157.85 150.19 22.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.0 tp -104.36 145.91 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.834 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.475 ' HD2' HD12 ' A' ' 93' ' ' ILE . 55.0 ttm-85 -130.85 99.05 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.89 128.14 39.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.53 -59.3 1.74 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -136.91 153.52 21.78 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.262 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 p -156.82 138.93 14.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.2 m -150.39 125.32 9.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 33.7 tt0 -98.12 117.4 32.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 170.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -112.56 83.72 1.86 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.182 0.515 . . . . 0.0 110.043 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.91 -91.95 0.61 Allowed Glycine 0 CA--C 1.518 0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.498 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -127.69 11.69 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.274 0.559 . . . . 0.0 110.703 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.434 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 2.1 tmt_? -139.31 133.64 31.47 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.1 171.81 23.2 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.77 -175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.1 m -149.06 144.39 26.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.01 127.06 23.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.165 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.3 139.5 39.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.4 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -156.67 -177.85 6.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.003 0.43 . . . . 0.0 111.049 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.475 HD12 ' HD2' ' A' ' 77' ' ' ARG . 90.0 mt -134.62 117.14 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.183 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.71 114.56 27.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.434 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -95.25 114.65 26.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.3 p90 -138.83 159.52 41.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.444 -177.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 50.0 ttp180 -90.32 120.03 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 98' ' ' ARG . 45.6 ttt-85 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 CA--C 1.533 0.439 0 N-CA-C 113.381 0.493 . . . . 0.0 113.381 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 36.6 mt-10 -77.44 121.61 24.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.773 173.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -110.59 141.59 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.951 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.3 p -118.81 111.86 18.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -100.33 128.27 46.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -104.94 103.82 13.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.41 174.08 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.374 0.607 . . . . 0.0 111.245 -177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -136.61 118.46 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.272 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.5 m -105.21 128.95 53.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.434 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.3 mp0 -95.62 141.14 29.48 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.703 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 75.9 m-85 -129.29 146.6 51.16 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -176.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -103.57 136.34 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.625 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -99.95 114.56 27.9 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.927 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.9 20.92 11.18 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.385 0.612 . . . . 0.0 109.794 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.24 51.76 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.27 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -88.62 144.1 26.51 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 79.0 m95 -92.76 128.6 38.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.688 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -122.12 144.14 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.024 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.84 124.73 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.4 m -98.21 -63.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.405 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.43 151.6 29.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.859 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.01 140.84 7.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.153 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -160.93 174.15 14.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.102 177.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.539 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -126.73 166.44 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 150.98 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.578 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.3 m -79.67 34.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -158.71 159.63 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.89 79.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.603 0 O-C-N 123.767 0.667 . . . . 0.0 113.892 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' CYS . 20.0 m -161.86 120.51 2.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.52 58.0 1.62 Allowed Glycine 0 C--N 1.334 0.424 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.6 mmmt -143.31 172.03 13.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.404 0.681 . . . . 0.0 109.591 -169.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.6 p -78.47 -177.05 5.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 174.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.88 -55.98 12.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.61 -56.62 19.1 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.549 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.06 -23.46 65.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.859 0.361 . . . . 0.0 111.569 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 14.3 t -98.91 -84.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.872 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 55.2 m -73.67 -21.1 60.37 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -55.11 -55.22 29.29 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.696 -0.502 . . . . 0.0 114.15 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.611 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 20.2 Cg_endo -61.46 -30.04 86.09 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.463 2.109 . . . . 0.0 112.591 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.3 mm? -74.76 -51.33 14.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.119 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 38' ' ' ALA . 19.9 mt -67.3 -22.06 65.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.23 -6.14 54.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.751 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 59.19 21.81 9.94 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -101.81 -30.3 11.36 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.611 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 75.5 ttt180 -127.27 140.42 52.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.724 0.297 . . . . 0.0 110.989 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -82.81 140.69 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.313 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.05 74.69 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.633 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.57 14.78 7.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.056 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 t -160.3 141.95 9.3 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.36 -48.31 11.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.681 2.254 . . . . 0.0 111.764 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.505 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.8 pt-20 -63.97 -42.81 97.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.229 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.5 -34.71 72.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -75.09 -42.96 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.765 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -61.59 -52.33 64.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.97 -173.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -72.86 -21.85 60.87 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.96 -173.267 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 63.2 m -74.32 -39.24 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG3' HD13 ' A' ' 31' ' ' LEU . 12.5 mtm180 -65.54 -41.3 93.2 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.058 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 46.8 t80 -51.73 -41.93 61.9 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.775 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.52 88.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.587 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.1 -34.5 77.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.72 -45.54 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.314 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.57 65.14 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.856 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.74 16.34 23.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.595 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HB3' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.06 23.82 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.525 1.13 . . . . 0.0 113.475 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.27 67.03 10.01 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.6 p90 -70.91 -15.59 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.79 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 34.3 t70 -59.92 -49.13 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 63.4 t80 -57.43 -42.0 81.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.563 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 38' ' ' ALA . 40.2 mm -55.0 -58.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.858 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' PHE . 64.3 t -53.1 -46.42 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.179 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 49.2 mt-10 -57.78 -40.68 80.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.433 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -94.5 22.02 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.189 0.519 . . . . 0.0 111.429 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' ARG . 61.8 m -100.19 151.06 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.865 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 14.4 t70 -47.18 138.97 7.64 Favored Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.874 0.734 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.14 -36.88 47.13 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.881 2.387 . . . . 0.0 112.277 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.29 -45.92 44.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.8 mmt180 -74.82 -25.11 58.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.321 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 56' ' ' ARG . 34.3 ttp180 -62.38 -30.64 71.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.652 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.81 -23.02 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.659 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.53 -14.38 43.19 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.314 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -79.33 152.4 30.48 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.45 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -140.6 142.96 35.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -52.25 -50.68 61.57 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.342 0.401 . . . . 0.0 111.81 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.24 -39.37 65.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.16 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 67' ' ' TRP . 93.2 m-20 -62.5 -35.86 80.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.329 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 38.3 ttm-85 -73.37 -35.29 65.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.514 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.07 -41.25 34.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.343 -173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 64' ' ' ASN . 4.9 m-90 -60.68 -49.07 79.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 42' ' ' LYS . 22.8 ptm -68.55 -27.0 65.69 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.987 0.422 . . . . 0.0 110.689 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 14.1 mm-40 -64.67 -31.64 72.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.173 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 13.4 pt-20 -110.71 -19.82 12.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.8 m -123.69 101.08 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.7 t70 -75.4 110.9 10.15 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.698 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -72.97 114.41 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.701 0.286 . . . . 0.0 111.464 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.62 -61.15 1.66 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -148.11 148.68 30.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.069 0.461 . . . . 0.0 111.121 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -114.48 131.37 56.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -132.5 105.54 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -76.55 140.47 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 91' ' ' GLU . 52.8 mt -102.06 -46.84 4.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.151 0.5 . . . . 0.0 110.199 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.98 162.73 32.83 Favored Glycine 0 CA--C 1.517 0.185 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.397 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 90' ' ' VAL . 41.3 t -163.81 148.97 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.03 0.415 . . . . 0.0 110.562 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -153.89 130.46 10.67 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 34.3 tt0 -96.86 128.15 43.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -125.16 78.18 1.69 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.204 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.02 -79.21 0.1 Allowed Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.344 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 11.0 p -124.74 -4.04 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.34 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -120.78 133.33 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.78 156.57 18.82 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.207 -0.521 . . . . 0.0 111.888 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.3 m -147.22 132.85 18.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 81' ' ' SER . 5.2 p -139.71 125.51 21.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.221 0.534 . . . . 0.0 111.378 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 79' ' ' LEU . 9.7 tp10 -92.44 132.3 36.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -151.61 170.4 19.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.66 0.743 . . . . 0.0 112.608 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.464 HG12 ' HB2' ' A' ' 107' ' ' HIS . 57.2 mt -132.82 119.65 38.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.21 173.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.54 114.38 28.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -95.0 118.3 31.58 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.135 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -139.03 151.73 47.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.59 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 9.3 ttp180 -89.38 107.29 18.98 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 102' ' ' PRO . 46.9 ttt85 -107.59 101.81 11.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.959 -174.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.99 -179.14 29.87 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.83 78.91 1.96 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.14 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.67 -67.25 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.709 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 48.8 Cg_endo -67.13 131.48 25.32 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.823 2.348 . . . . 0.0 113.82 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 34.0 mt-10 -97.57 113.53 25.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.358 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -105.57 149.0 26.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.9 p -125.23 118.8 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.121 0.486 . . . . 0.0 110.589 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -90.67 105.17 17.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.646 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 93' ' ' ILE . 13.9 t-160 -97.97 119.09 35.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 24.4 pt-20 -162.45 172.23 15.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.091 0.472 . . . . 0.0 111.254 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.672 ' NH1' HG23 ' A' ' 127' ' ' VAL . 34.3 ttp180 -119.29 117.99 30.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.035 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.437 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 68.1 m -103.91 134.74 46.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.397 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.54 142.07 27.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.415 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.24 144.33 50.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.047 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -108.0 133.98 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 73.0 tttt -96.43 122.11 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 120' ' ' TYR . . . -131.06 122.47 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 116' ' ' ARG . 4.3 mmp_? 56.9 28.38 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.39 45.51 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.087 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 151.57 21.28 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.423 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 75.2 m95 -98.65 135.61 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.436 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 91.2 m-85 -127.32 136.19 51.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -70.5 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.9 m -89.65 -52.69 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.87 165.13 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.633 0.254 . . . . 0.0 110.905 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -155.81 137.16 5.41 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.5 pt-20 -155.05 176.26 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.75 133.47 42.18 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.672 HG23 ' NH1' ' A' ' 109' ' ' ARG . 0.7 OUTLIER -52.53 123.5 3.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.524 179.554 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.999 178.444 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.522 ' O ' ' HA ' ' A' ' 10' ' ' THR . 62.7 mtt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -52.94 159.19 1.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.435 0.459 . . . . 0.0 111.609 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 7.3 t -87.48 145.97 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.87 -23.05 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 111.127 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -96.72 157.05 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.76 81.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.585 0 O-C-N 123.792 0.683 . . . . 0.0 113.157 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' CYS . 25.2 m -163.81 115.4 1.38 Allowed 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.91 43.93 1.75 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.426 -0.416 . . . . 0.0 112.743 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 17.0 mtmt -136.4 167.74 20.77 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 1' ' ' MET . 35.9 p -68.37 169.67 10.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.464 0.173 . . . . 0.0 110.96 -176.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -52.92 -57.38 10.48 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.1 -49.46 74.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.904 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.927 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 6.3 t -101.9 -80.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.835 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 m -73.58 -21.54 60.31 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.96 -55.34 18.84 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.047 -0.597 . . . . 0.0 114.255 -171.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HB2' ' CB ' ' A' ' 23' ' ' ARG . 52.5 Cg_endo -69.94 -25.83 27.34 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.09 1.86 . . . . 0.0 112.748 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD21 HH11 ' A' ' 23' ' ' ARG . 4.0 mm? -75.01 -45.16 43.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.988 0.423 . . . . 0.0 110.401 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 41' ' ' LEU . 2.4 mt -69.88 -22.02 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.985 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.24 -8.63 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.608 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 46' ' ' TYR . 1.7 mpp_? 61.97 17.67 9.19 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -92.15 -33.25 14.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.751 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 HH11 HD21 ' A' ' 18' ' ' LEU . 65.0 ttt-85 -105.89 130.82 53.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.577 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.2 p -84.88 125.14 32.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 30' ' ' ALA . . . -60.89 -24.5 66.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.55 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 68.36 -2.29 1.62 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -154.06 149.69 21.18 Favored Pre-proline 0 C--O 1.235 0.331 0 C-N-CA 121.955 0.102 . . . . 0.0 110.729 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' HB2' ' A' ' 112' ' ' PHE . 20.1 Cg_endo -59.08 -47.89 16.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 123.091 2.527 . . . . 0.0 112.569 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.8 pt-20 -60.01 -44.6 94.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.975 0.417 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HA ' HH11 ' A' ' 33' ' ' ARG . . . -62.79 -44.35 96.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.513 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.2 tm? -66.31 -35.24 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -62.02 -51.73 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.567 -177.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.96 -29.21 65.15 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.137 -173.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -70.38 -42.86 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -62.58 -51.22 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.718 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.46 -40.6 59.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.245 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.04 -37.82 69.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -66.37 -26.01 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -62.76 -37.94 88.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.069 0.461 . . . . 0.0 110.058 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.83 -18.48 50.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.017 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 19' ' ' LEU . 64.9 mt -105.25 20.04 19.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.776 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.55 23.08 0.07 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.431 1.092 . . . . 0.0 113.1 -178.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.0 t0 -95.74 70.03 2.96 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -68.6 -19.73 64.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.646 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.68 -39.91 80.36 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 54.1 t80 -55.79 -36.31 67.27 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 38' ' ' ALA . 23.1 mm -57.99 -56.3 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.191 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.504 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 16.6 t -57.69 -35.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.9 -48.01 83.45 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.413 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 p -89.24 22.15 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.716 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -99.65 152.63 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.523 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 14.7 t70 -50.27 137.02 22.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 173.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.44 -33.39 92.04 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.89 2.394 . . . . 0.0 112.421 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -82.37 -43.06 17.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.292 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 122' ' ' SER . 31.2 mmt180 -67.96 -28.58 67.57 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 19.0 ttp180 -61.6 -17.45 55.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.9 -25.55 68.2 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.61 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.62 -15.42 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.822 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.79 94.32 9.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.85 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB2' HG23 ' A' ' 63' ' ' VAL . 12.1 m-20 -91.82 142.82 27.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -53.39 -41.35 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.87 -51.58 68.71 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.74 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 60' ' ' ASP . 94.3 t -58.1 -45.59 88.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.335 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.379 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 42.3 ttm105 -71.37 -39.64 71.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.979 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.97 -27.08 17.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.771 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -61.05 -55.89 27.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.898 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.36 -24.15 62.92 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.859 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.2 mm-40 -66.39 -39.53 89.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.45 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.73 -29.74 12.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.595 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -134.59 115.91 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.991 0.424 . . . . 0.0 111.419 -176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.58 116.01 19.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.324 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -71.5 114.08 9.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 110.748 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.83 -59.57 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.802 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 31.3 tt0 -138.11 149.36 45.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.262 -169.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 tp -115.53 129.66 56.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.821 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 79.3 ttt180 -119.11 98.73 6.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.23 113.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.5 mt -83.46 -51.5 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.5 159.49 30.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.02 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -134.29 159.61 40.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.4 m -154.01 139.97 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.988 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.28 122.98 15.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.797 0.332 . . . . 0.0 110.257 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -113.88 49.88 0.96 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.268 0.556 . . . . 0.0 109.763 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.26 -82.89 0.54 Allowed Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.759 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 p -86.97 -29.79 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.714 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.6 tmm_? -124.14 136.09 53.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.514 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -141.73 171.58 24.36 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -154.66 148.14 25.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.73 132.47 48.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -100.65 132.97 45.77 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.629 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -151.23 -178.25 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.136 0.493 . . . . 0.0 111.17 -175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.1 mt -134.49 116.92 22.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.795 174.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 116.71 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.5 ttm-85 -95.96 117.61 30.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.763 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -137.13 147.64 46.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.88 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 52.4 ttp180 -89.99 106.92 18.8 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -87.64 91.9 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.61 172.21 23.77 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.42 60.74 4.69 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.834 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.91 -75.7 0.1 Allowed Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.473 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.88 132.86 24.02 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 122.89 2.393 . . . . 0.0 113.711 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.0 mt-10 -84.51 154.99 22.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -151.94 149.63 29.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.5 p -134.38 144.92 48.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.608 0.242 . . . . 0.0 110.389 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -126.02 140.75 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -111.16 106.31 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -179.75 5.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 111.789 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.658 HH21 ' NE2' ' A' ' 111' ' ' GLN . 43.0 ttp180 -136.59 109.04 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.751 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.6 p -104.3 123.88 48.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.644 0.259 . . . . 0.0 110.972 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.658 ' NE2' HH21 ' A' ' 109' ' ' ARG . 1.0 OUTLIER -90.11 148.95 22.69 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 175.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 76.1 m-85 -130.1 147.54 51.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.415 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 56.6 ttt180 -120.97 131.76 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.756 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -94.99 129.86 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.954 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.85 133.03 20.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.962 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 61.73 25.72 15.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.84 -3.2 87.43 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.502 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 41.5 mtt180 -122.26 138.47 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -173.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -88.0 144.36 26.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.837 -174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.25 142.63 47.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.87 122.49 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.62 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 16.5 m -90.85 -52.87 4.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -173.51 157.92 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 110.897 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.54 134.03 6.06 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.182 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -145.03 156.02 43.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.39 145.52 54.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.644 0.259 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.531 HG22 ' HB2' ' A' ' 109' ' ' ARG . 85.8 t -80.03 104.98 8.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.176 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.487 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.502 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 91.8 m-20 -76.38 -178.59 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 0.0 110.499 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -110.14 145.29 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.996 -172.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.1 m -68.98 78.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 122.185 0.993 . . . . 0.0 109.994 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 76.2 m -165.85 146.0 6.54 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.758 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.21 73.2 0.09 OUTLIER Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.8 p -170.88 129.6 0.78 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.01 58.63 3.93 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 3.4 mmpt? -134.01 158.63 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 44.4 p -78.61 178.64 7.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.255 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -58.92 -53.42 58.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.81 -56.37 16.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.42 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.59 -26.46 61.53 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.521 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 10' ' ' THR . 7.8 t -101.5 -82.97 0.46 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.3 m -74.98 -21.75 58.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.47 -55.66 15.92 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -169.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 46.2 Cg_endo -68.48 -26.43 34.34 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.185 1.923 . . . . 0.0 112.255 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 4.0 mm? -75.24 -47.15 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.919 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.31 -34.57 77.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.243 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.51 65.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.698 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 65.45 16.95 10.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.683 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -90.81 -23.23 20.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.588 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 49.2 ttt180 -128.76 140.23 51.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -83.07 141.63 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.97 70.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.637 0.256 . . . . 0.0 111.603 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.69 8.29 5.1 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.483 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -161.19 145.31 10.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.26 -52.26 6.89 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.829 2.353 . . . . 0.0 112.734 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -67.15 -33.1 74.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.669 0.271 . . . . 0.0 110.972 -178.505 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -62.49 -29.37 70.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -81.47 -42.69 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.14 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.522 ' HE3' HG22 ' A' ' 78' ' ' VAL . 20.5 ptt? -69.04 -31.97 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.573 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -76.84 -26.15 54.0 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.826 -177.527 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.45 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 32.4 p -77.39 -46.25 23.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -55.41 -50.14 70.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.105 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -52.41 -45.89 66.09 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.62 -32.03 72.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.225 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.0 -38.2 87.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.775 0.321 . . . . 0.0 110.649 177.271 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.52 62.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.514 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 92.2 mt -97.69 19.75 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.575 176.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 42.99 28.63 0.14 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.886 1.274 . . . . 0.0 113.541 177.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -103.16 85.92 2.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.448 0.642 . . . . 0.0 109.283 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 24.5 p90 -71.08 -11.63 61.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.195 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.23 -48.8 66.74 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.043 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.502 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 77.4 t80 -58.09 -34.02 69.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 39' ' ' TYR . 34.9 mm -54.55 -52.46 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.207 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.45 -42.15 86.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -77.87 -3.18 40.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.429 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 p -114.81 12.53 16.99 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.162 0.506 . . . . 0.0 110.656 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 55' ' ' ARG . 35.2 m -90.65 152.08 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.415 173.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -51.32 137.5 29.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.36 -30.81 27.95 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -82.41 -46.97 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.073 0.464 . . . . 0.0 110.504 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 122' ' ' SER . 28.0 mmt180 -68.84 -24.52 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.928 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.97 -25.23 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.46 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.36 -27.06 68.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.551 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -86.09 -11.77 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.74 170.74 10.17 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.288 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.527 ' HB3' HG23 ' A' ' 63' ' ' VAL . 31.6 t70 -169.65 147.53 3.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.074 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.16 -41.1 74.89 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.24 -49.44 71.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.621 0.724 . . . . 0.0 110.395 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 60' ' ' ASP . 6.6 t -64.36 -44.72 97.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.74 -174.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.546 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -61.6 -36.48 80.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.513 177.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.6 ttt180 -62.49 -49.34 75.76 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.85 36.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.146 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -63.15 -51.13 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.537 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 21.0 ptt? -66.45 -22.36 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.967 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 26.0 mm-40 -76.29 -39.14 55.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -86.83 -27.45 23.5 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.722 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 m -106.12 120.8 42.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 111.757 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 37.5 t70 -93.88 100.67 12.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.0 119.46 18.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -172.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -87.0 -64.98 1.06 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.793 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -156.06 150.77 26.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.8 tp -98.49 132.57 43.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.519 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.58 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 75.7 ttt180 -111.67 102.38 10.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 32' ' ' MET . 96.7 t -87.08 117.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.3 mt -89.75 -56.15 3.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.836 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.61 158.88 27.37 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.267 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.4 p -142.48 159.72 41.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 111.183 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -149.38 123.47 9.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.326 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' CZ2' ' A' ' 119' ' ' TRP . 41.0 tt0 -86.15 121.42 28.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -110.53 54.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.03 -104.86 1.03 Allowed Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.644 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.0 m -86.23 -0.36 55.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.045 0.45 . . . . 0.0 111.058 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -134.66 166.36 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.79 164.8 33.83 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.859 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -146.2 139.06 25.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.53 135.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HG2' HD12 ' A' ' 79' ' ' LEU . 31.7 tt0 -107.0 132.11 53.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.93 175.02 12.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.285 0.564 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.2 mt -132.81 115.4 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.408 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.34 111.81 22.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -95.4 117.24 30.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -139.97 171.75 13.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.6 ttp180 -120.06 121.89 39.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.055 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -86.03 137.46 32.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.36 -91.23 0.16 Allowed Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.334 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.75 46.13 0.21 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.249 -0.5 . . . . 0.0 111.885 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.79 -75.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.452 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.62 133.36 27.53 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.762 2.308 . . . . 0.0 112.765 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 44.5 mt-10 -87.29 171.05 10.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.027 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -161.84 148.67 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.572 170.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 15.7 p -127.68 111.73 14.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -88.76 107.64 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -93.89 101.08 13.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.088 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.15 158.02 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.413 0.625 . . . . 0.0 111.535 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -111.77 105.13 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.402 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 t -100.83 136.93 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 111.331 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.39 139.23 36.36 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.769 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -124.54 142.42 51.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.305 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -109.64 138.02 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.984 0.421 . . . . 0.0 110.346 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -88.77 104.81 17.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.291 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -114.09 120.35 40.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.438 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 61.51 23.85 14.05 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.4 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.01 66.29 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.181 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.513 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.8 mpt_? -98.23 149.03 23.01 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.41 ' CZ2' ' HG3' ' A' ' 83' ' ' GLU . 94.9 m95 -89.33 137.6 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 97.6 m-85 -134.93 141.68 46.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.226 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -67.05 114.31 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 36.8 m -91.49 -54.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.803 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.84 172.66 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.842 0.353 . . . . 0.0 110.781 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.25 151.79 16.48 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -158.93 152.34 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.858 0.329 . . . . 0.0 110.563 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.22 122.01 12.12 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.328 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.36 136.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.187 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.172 -179.087 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -105.49 -156.33 0.57 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.025 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t -143.35 149.04 37.18 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.546 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.6 m -69.66 76.53 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 122.146 0.974 . . . . 0.0 109.943 173.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 72.1 m -168.11 164.46 13.48 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.371 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.39 55.21 1.97 Allowed Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 166.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -154.91 118.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.26 -17.0 67.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.271 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.9 mtpt -59.92 161.09 6.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 111.215 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.609 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.8 p -74.57 177.31 6.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.019 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -54.7 -53.35 56.06 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -56.36 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.337 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.99 -18.86 65.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.643 -174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.0 t -105.27 -76.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 111.424 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 50.4 m -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -53.65 -55.34 25.73 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 121.125 -0.559 . . . . 0.0 114.139 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 23.8 Cg_endo -62.93 -30.4 76.91 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.137 1.892 . . . . 0.0 112.377 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.12 -52.13 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.78 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 15' ' ' CYS . 32.8 mt -69.52 -21.28 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.103 -177.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -82.53 -10.81 58.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.028 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.7 9.91 3.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.929 0.491 . . . . 0.0 111.49 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -79.99 -16.75 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.9 ttm-85 -151.2 141.14 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.674 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -97.66 153.34 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.984 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.47 8.12 2.7 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.116 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -150.4 137.86 11.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.73 -44.01 34.29 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.652 2.235 . . . . 0.0 112.047 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 12.4 pt-20 -66.15 -43.69 86.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -67.06 -27.11 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.514 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD11 ' HD2' ' A' ' 35' ' ' ARG . 2.9 tm? -80.93 -41.12 23.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.885 -178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.708 -178.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.596 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.79 -23.18 49.23 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 -178.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 p -77.56 -44.05 29.79 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD2' HD11 ' A' ' 31' ' ' LEU . 41.1 mtp180 -62.12 -38.76 90.13 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.503 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -50.93 -48.16 60.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.245 0.545 . . . . 0.0 110.254 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -67.47 -39.23 85.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.961 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.9 81.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.169 0.509 . . . . 0.0 110.451 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.78 -37.45 79.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.803 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.84 -22.55 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.834 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.9 mt -94.79 20.07 9.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.924 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' O ' ' HE1' ' A' ' 68' ' ' MET . 0.0 OUTLIER 47.99 23.93 0.56 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.494 1.118 . . . . 0.0 112.9 178.08 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -101.38 78.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.629 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 39.3 p90 -68.26 -19.32 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.406 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 28.2 t70 -59.83 -45.63 91.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.05 -35.46 80.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.672 0.272 . . . . 0.0 110.375 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 39' ' ' TYR . 47.3 mm -56.29 -47.83 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.834 HG12 ' HE ' ' A' ' 56' ' ' ARG . 38.4 t -67.2 -36.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.389 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 48.1 mt-10 -61.85 -38.85 89.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.024 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -95.25 18.11 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.624 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -90.86 152.68 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 12.7 t70 -52.07 133.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 123.275 0.36 . . . . 0.0 110.376 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -41.34 -32.53 1.26 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.995 3.13 . . . . 0.0 112.532 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.01 -44.51 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.418 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' NH1' ' HB3' ' A' ' 123' ' ' GLU . 16.1 mmt85 -68.69 -23.61 64.41 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.942 0.401 . . . . 0.0 110.501 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HE ' HG12 ' A' ' 48' ' ' VAL . 39.7 ttt180 -62.29 -28.85 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.964 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.91 -25.86 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -77.25 -18.08 57.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -78.43 165.46 23.77 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -147.65 136.29 21.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.557 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -58.17 -46.55 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.885 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.34 -51.84 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.688 0.28 . . . . 0.0 110.831 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.03 -40.43 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.629 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.4 t30 -62.86 -48.18 80.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.17 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.644 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 19.2 ttp180 -60.16 -48.63 80.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -37.94 20.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.412 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -67.06 -51.79 50.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.067 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.2 ptt? -66.13 -20.0 66.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.573 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 15.7 mm-40 -68.98 -32.19 71.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.302 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -108.01 10.68 28.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 68' ' ' MET . 47.0 t -121.41 84.13 2.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.145 0.497 . . . . 0.0 110.638 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 17.8 t0 -77.06 106.49 8.79 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.65 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -77.87 126.9 31.54 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 111.693 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -106.48 -53.95 2.55 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.732 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -145.23 154.13 42.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.024 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -123.52 146.54 48.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 74.1 ttt180 -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.41 126.11 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.051 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 91' ' ' GLU . 78.1 mt -101.91 -53.04 3.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 110.934 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.16 159.8 29.34 Favored Glycine 0 C--O 1.23 -0.156 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 p -153.59 139.33 17.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.723 0.261 . . . . 0.0 110.46 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 m -148.79 129.72 14.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -101.39 117.72 35.52 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -112.82 73.21 0.8 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.81 -113.62 4.66 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.561 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 p -94.83 6.07 50.05 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.956 0.408 . . . . 0.0 111.398 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.58 140.57 31.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.29 174.4 21.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.074 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 HE21 ' A' ' 111' ' ' GLN . 83.2 m -152.62 145.45 24.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 32' ' ' MET . 6.3 p -141.99 134.11 27.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.11 0.481 . . . . 0.0 110.848 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HG3' HD12 ' A' ' 79' ' ' LEU . 6.8 tp10 -100.65 125.6 47.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.929 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -146.97 172.55 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.122 0.487 . . . . 0.0 111.507 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 92.4 mt -133.86 108.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.493 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.98 113.21 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 103' ' ' GLU . 35.3 ttt85 -94.7 117.93 30.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -131.61 -174.84 3.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.76 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 16.5 ttp180 -123.77 119.53 30.01 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -74.27 144.51 44.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.955 -173.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.27 81.71 0.02 OUTLIER Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.129 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.4 -29.98 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 149.38 -73.27 0.29 Allowed Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.885 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.8 159.75 51.63 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.879 2.386 . . . . 0.0 113.525 -173.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 35.6 mt-10 -75.05 166.49 23.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.34 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -157.39 145.87 19.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.614 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -102.17 148.63 25.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 4.6 t-80 -121.66 104.18 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.601 ' CE1' ' HA ' ' A' ' 128' ' ' ASP . 12.0 t-160 -121.79 114.75 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -174.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 1.5 pm0 -160.17 159.78 32.08 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.724 0.773 . . . . 0.0 112.152 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HG2' ' CG2' ' A' ' 89' ' ' THR . 28.5 ttp-105 -93.76 110.71 22.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.47 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 p -98.53 134.2 41.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.44 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.422 HE21 HG23 ' A' ' 89' ' ' THR . 2.2 mp0 -97.74 136.54 37.93 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.314 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -130.49 142.07 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.455 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 72.4 ttt180 -105.68 142.51 35.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.185 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -104.05 106.66 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.061 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -112.4 119.27 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.2 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 7.5 mpt_? 59.09 24.41 12.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.203 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.26 -12.81 69.02 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 113.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.6 mpt_? -93.22 147.16 23.14 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -99.19 135.29 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.16 148.44 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.745 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -72.16 123.8 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.856 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 m -101.38 -57.25 2.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.475 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 9.5 pt-20 -165.46 -176.86 4.17 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.11 169.74 42.8 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -144.47 138.88 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.702 0.251 . . . . 0.0 110.328 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HA ' ' HB3' ' A' ' 108' ' ' GLU . . . -59.03 124.1 18.79 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.402 0.439 . . . . 0.0 110.385 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.2 t -139.02 150.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -173.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.601 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 8.4 m-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.588 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.611 ' HB3' HG22 ' A' ' 10' ' ' THR . 65.5 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.94 0.4 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -141.86 -171.41 3.34 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 -176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 3.3 t -150.96 143.82 24.53 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.3 m -72.6 65.89 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 0.0 110.596 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 8.5 m -161.4 140.53 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.033 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.1 95.51 0.07 OUTLIER Glycine 0 C--N 1.332 0.335 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 p -171.64 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.715 0.293 . . . . 0.0 110.772 -174.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.41 8.97 87.4 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.34 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 25.6 mtmt -104.27 163.32 12.5 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 1' ' ' MET . 78.0 p -67.53 172.99 4.46 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.373 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 51.5 t80 -60.91 -56.76 17.35 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.34 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -64.49 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.974 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.41 -56.86 11.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 109.946 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -73.66 -72.29 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.888 -176.155 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 52.3 m -73.63 -28.43 61.79 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.6 -55.19 14.36 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 114.689 0.636 . . . . 0.0 114.689 -169.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 -25.71 27.39 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.145 1.897 . . . . 0.0 112.666 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' OG ' ' A' ' 34' ' ' SER . 4.6 mm? -75.2 -51.66 12.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.473 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 46' ' ' TYR . 47.0 mt -63.39 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.645 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.45 -7.58 48.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 64.71 12.86 7.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.177 0.591 . . . . 0.0 111.642 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HB3' ' A' ' 20' ' ' ALA . 6.2 t -90.75 -27.39 18.96 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.954 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -109.47 133.53 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 110.997 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.1 p -90.92 124.77 35.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.153 172.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.76 53.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.85 12.01 2.82 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.961 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -158.13 131.18 4.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.95 -42.3 68.23 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.876 2.384 . . . . 0.0 111.958 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 7.3 pt-20 -61.43 -45.67 93.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.397 178.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -66.2 -34.29 77.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 tm? -64.18 -47.68 78.89 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 68.4 mmm -62.21 -47.88 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 176.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -57.4 -34.39 68.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.346 -178.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.486 ' OG ' ' HG ' ' A' ' 18' ' ' LEU . 28.1 m -78.12 -51.53 10.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.651 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' ILE . 14.6 ptt180 -72.56 -31.07 64.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.658 -172.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -53.81 -38.04 64.16 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.488 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -64.03 -38.98 93.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.238 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 47' ' ' ILE . 2.4 m-30 -62.26 -47.37 84.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.013 0.435 . . . . 0.0 110.089 174.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.88 -25.6 65.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.281 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.9 mt -105.54 19.46 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.53 31.25 0.59 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.48 1.112 . . . . 0.0 113.745 176.289 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.57 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 29.6 t70 -102.43 79.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.9 p90 -71.31 -10.89 60.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.53 -55.52 21.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.944 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.491 ' CG ' HD23 ' A' ' 19' ' ' LEU . 69.9 t80 -60.23 -32.27 70.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 35' ' ' ARG . 45.0 mm -61.76 -47.52 92.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.388 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 22.0 t -63.75 -35.13 71.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.768 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -77.22 -5.53 49.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.2 p -115.78 17.8 15.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.0 m -99.01 152.85 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.76 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.06 138.41 46.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.67 -28.06 44.91 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.88 2.387 . . . . 0.0 112.448 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.66 -52.24 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -65.01 -17.58 64.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.167 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' HG12 ' A' ' 48' ' ' VAL . 21.9 ttp180 -62.72 -25.18 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.919 0.39 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.93 -29.95 70.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.28 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.6 mt -79.55 -8.27 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.66 124.52 34.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.49 147.9 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.78 -42.85 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.224 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.97 -55.11 24.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.435 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -36.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.998 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.47 -46.59 87.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.156 0.503 . . . . 0.0 109.874 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 25.9 ttp-105 -67.47 -32.97 74.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.42 -33.06 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.184 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -65.91 -47.03 76.12 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.7 ptm -69.57 -24.21 63.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.295 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.9 mm-40 -77.08 -37.9 53.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.61 -25.33 33.3 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.118 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.1 m -147.51 138.05 23.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.379 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.28 103.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 98.8 m-85 -63.59 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 -177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.42 -53.66 2.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.62 -171.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.53 146.06 32.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 -169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -118.3 148.65 42.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -142.17 109.5 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.077 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -84.17 122.62 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.8 mt -92.53 -51.36 5.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.204 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.85 161.0 28.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.957 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 p -159.15 145.46 16.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -148.15 130.52 15.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.243 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -106.45 114.98 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -110.18 68.55 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.657 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.74 -105.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.599 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.0 m -92.9 -9.52 39.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -108.55 151.75 25.68 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.86 157.96 28.19 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -150.46 142.54 24.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.34 131.72 30.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.45 132.5 49.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -149.33 179.66 7.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.201 0.524 . . . . 0.0 111.694 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 106' ' ' HIS . 41.5 mt -134.96 119.88 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.197 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.09 115.43 30.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -95.05 136.13 35.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -151.28 163.6 38.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.868 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 38.0 ttp180 -89.87 111.71 22.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -77.93 109.28 11.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.474 -172.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.94 -131.16 15.05 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.568 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.22 36.41 3.31 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.779 -0.529 . . . . 0.0 111.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -143.47 -107.06 0.58 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.701 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.49 168.17 23.18 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.845 2.363 . . . . 0.0 113.129 -173.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 42.7 mt-10 -87.01 164.72 16.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.922 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -158.49 148.22 19.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.8 p -128.76 124.32 35.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.811 0.339 . . . . 0.0 110.737 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 27.1 m170 -84.46 144.97 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -126.92 99.87 5.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 0.5 OUTLIER -132.39 -177.26 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.748 -178.215 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -139.95 119.27 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.2 t -104.8 134.94 47.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.451 . . . . 0.0 110.914 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -97.68 140.77 31.58 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 90.7 m-85 -128.51 154.22 46.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 -176.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -112.44 136.05 52.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.577 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 66.4 tttt -95.38 106.04 18.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.85 124.8 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.28 21.17 12.32 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.369 0.604 . . . . 0.0 109.734 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.03 -13.87 65.86 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.998 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -96.07 149.35 21.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 89.0 m95 -93.38 130.31 39.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.677 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 91.4 m-85 -127.33 133.25 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.559 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -57.91 123.92 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.1 m -102.17 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.106 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.4 -175.58 5.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.0 151.64 5.83 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.27 178.89 9.79 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.54 126.26 25.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.27 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.417 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 10.3 p -77.16 149.28 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.681 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.213 179.46 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.704 0.288 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -89.51 -155.37 0.35 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.4 t -145.15 154.77 42.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.548 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 17.4 m -71.58 69.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 122.095 0.95 . . . . 0.0 109.993 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.791 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 35.0 m -166.4 119.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.072 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 76' ' ' LEU . . . -60.45 81.47 0.02 OUTLIER Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.877 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.421 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 13.4 m -148.86 -31.78 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.494 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 38.35 14.74 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.027 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.8 mmmt -124.93 152.07 44.59 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.8 p -69.54 174.53 4.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.354 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -61.31 -49.31 77.52 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.04 -57.51 8.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.474 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.62 -24.29 67.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.581 -174.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 29.6 t -95.82 -87.97 0.28 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.399 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 68.0 m -75.04 -21.26 59.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -174.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.12 13.74 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 34.5 Cg_endo -68.12 -26.31 36.73 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.831 1.687 . . . . 0.0 112.488 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.95 -51.88 11.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 mt -72.22 -21.28 61.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.85 -5.56 48.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.453 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? 57.18 21.45 6.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -97.42 -19.17 18.63 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 35.2 ttm180 -139.44 140.51 37.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.716 0.293 . . . . 0.0 111.048 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.5 p -90.98 131.38 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -54.8 -32.36 60.15 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.37 10.94 4.22 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.816 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 42.3 t -149.19 134.01 9.25 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.21 -49.17 14.79 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.839 2.359 . . . . 0.0 112.357 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 15.0 pt-20 -69.09 -42.42 76.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.801 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -61.59 -34.29 75.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 110.472 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.81 -43.91 43.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.232 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 32' ' ' MET . 14.8 tmm? -61.94 -50.36 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.808 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.35 -22.77 63.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.657 -175.374 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -77.47 -36.04 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 109.817 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttt-85 -66.35 -41.45 89.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.119 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -53.99 -45.42 71.44 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.726 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.791 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.96 -34.4 76.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.306 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.36 -31.72 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.732 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 6.1 m-85 -67.66 -44.37 78.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.9 0.381 . . . . 0.0 110.515 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.27 75.03 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.382 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 88.3 mt -90.05 14.18 12.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.382 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.525 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 40.69 34.64 0.26 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.55 1.14 . . . . 0.0 113.346 178.092 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -102.92 74.77 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 170.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 49.1 p90 -71.76 -10.99 60.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.36 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.09 -50.52 73.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.18 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -55.55 -34.35 64.66 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.48 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.1 mm -62.61 -54.08 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.391 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.1 -45.28 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.734 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.36 -38.61 77.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 p -90.11 19.77 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.546 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -101.54 147.71 26.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.742 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -50.63 137.42 24.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.636 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.85 -40.39 48.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.982 2.454 . . . . 0.0 112.668 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.5 -37.08 44.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.162 -177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 11.1 mmt85 -79.05 -24.1 43.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 110.024 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -66.12 -25.06 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.068 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.49 -30.11 69.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.154 0.502 . . . . 0.0 110.315 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.41 -23.13 58.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.01 98.5 2.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.22 150.03 23.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.664 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -58.65 -52.6 65.01 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.24 -45.34 85.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.81 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.651 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.3 t30 -65.05 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 68' ' ' MET . 17.2 ttt180 -73.52 -39.53 64.72 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.452 174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.12 -41.4 35.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.036 -174.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.64 -49.11 78.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.628 ' HB3' ' HD2' ' A' ' 39' ' ' TYR . 27.4 ptt? -71.32 -19.52 62.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 19.6 mm-40 -75.27 -42.68 54.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -84.72 -20.66 30.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 m -114.72 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 30.1 t70 -77.44 89.96 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.474 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.6 m-85 -58.62 128.93 39.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.172 0.51 . . . . 0.0 111.948 -172.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 mt -111.66 -50.34 2.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -161.29 151.22 17.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' HB3' ' H ' ' A' ' 6' ' ' GLY . 57.9 tp -107.42 140.6 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.071 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -128.87 99.72 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -81.47 121.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.332 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.6 mt -85.76 -49.6 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.964 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.33 168.8 41.44 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.44 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' VAL . 79.5 p -157.56 152.88 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.724 0.297 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 m -146.33 135.14 22.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.147 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.97 115.18 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.23 81.66 1.54 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.17 -111.41 4.08 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.359 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -98.49 -0.64 43.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 110.664 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -104.93 132.58 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.95 144.48 16.44 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.792 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -137.45 134.79 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.585 0.193 . . . . 0.0 110.558 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.5 p -139.05 121.85 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.225 0.535 . . . . 0.0 110.288 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.538 ' HG2' HD12 ' A' ' 79' ' ' LEU . 39.7 tt0 -102.05 134.32 45.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.805 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -155.28 -179.23 7.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.852 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.7 mt -133.5 118.06 29.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.706 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.2 111.34 22.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.848 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -95.03 119.78 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.6 p90 -144.23 155.23 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 110.918 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 17.3 ttp180 -90.12 126.76 35.91 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 27.2 tpt180 -69.8 101.35 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.57 -88.28 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.638 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.21 25.68 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.34 -105.47 2.45 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.766 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 89.2 Cg_endo -80.04 139.35 13.5 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.791 2.328 . . . . 0.0 113.164 -172.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.81 105.86 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.274 0.559 . . . . 0.0 109.523 174.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.0 155.04 22.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.843 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 114.79 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 111.06 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.74 130.44 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.617 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -113.86 118.84 35.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.86 169.08 17.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.564 0.697 . . . . 0.0 111.564 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 125' ' ' GLU . 50.4 ttp180 -126.95 103.76 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.347 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 m -92.72 125.06 37.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.948 0.404 . . . . 0.0 110.899 -174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -104.23 132.78 50.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.809 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -113.87 139.28 49.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.861 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 52' ' ' ASP . 34.8 ttp180 -103.9 127.71 51.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -80.42 106.1 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.86 126.55 55.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.156 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 61.1 23.45 13.64 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -10.06 74.25 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.4 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 1.5 mpt_? -105.5 152.99 22.34 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -90.23 136.04 33.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.452 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 87.4 m-85 -128.57 131.15 48.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.462 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.66 118.4 6.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.812 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 m -104.0 -47.72 4.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.911 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.81 132.8 15.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 111.365 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.41 81.75 0.34 Allowed Glycine 0 C--N 1.332 0.346 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.479 ' HG3' HG13 ' A' ' 127' ' ' VAL . 16.4 pt-20 -80.42 134.8 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.735 0.302 . . . . 0.0 111.078 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.33 104.3 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.479 HG13 ' HG3' ' A' ' 125' ' ' GLU . 27.3 m -110.43 155.54 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.615 178.04 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -85.3 134.44 34.12 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.5 t -83.12 132.63 35.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.163 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.5 m -66.31 77.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.001 0.905 . . . . 0.0 110.246 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 59.8 m -164.41 138.83 5.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.03 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.16 86.26 0.01 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 171.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -175.65 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.156 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.31 -10.49 73.02 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.734 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 25.3 mtmt -70.94 171.21 11.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.351 0.12 . . . . 0.0 110.745 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 52.9 p -73.22 172.28 11.42 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.702 0.287 . . . . 0.0 110.984 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.18 -53.97 52.09 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.75 -56.59 17.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.68 -32.29 65.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.384 0.611 . . . . 0.0 110.832 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.6 t -97.84 -79.96 0.46 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.856 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 57.2 m -74.09 -23.5 59.34 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.59 14.21 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 114.553 0.581 . . . . 0.0 114.553 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 42.3 Cg_endo -70.79 -26.6 22.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.04 1.827 . . . . 0.0 112.724 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 25' ' ' ALA . 3.6 mm? -75.97 -47.15 26.16 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.465 -177.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 46' ' ' TYR . 15.6 mt -62.15 -31.25 71.71 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.07 -16.78 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.614 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? 63.94 13.39 7.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.38 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -68.06 -31.49 71.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.121 0.486 . . . . 0.0 110.391 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 64.4 ttt180 -121.37 131.28 54.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 m -86.17 118.83 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.989 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.01 -38.52 57.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.569 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.28 12.8 5.45 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.948 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -145.78 131.27 9.29 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.83 -52.82 7.59 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.974 2.45 . . . . 0.0 112.541 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 4.5 pt-20 -66.93 -37.84 85.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.983 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.63 -40.12 86.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.22 0.533 . . . . 0.0 110.714 -178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.88 -44.88 46.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.758 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -61.78 -49.27 77.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.991 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.17 -27.05 66.08 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.789 -176.118 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -76.94 -34.26 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 175.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -64.93 -45.77 84.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.82 -44.04 66.38 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.789 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -55.58 -35.08 65.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.043 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -61.2 -36.46 79.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.49 -41.68 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.74 65.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.977 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -96.74 20.17 11.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.97 21.98 0.35 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.467 1.107 . . . . 0.0 113.388 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 15.7 m-20 -96.24 57.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HZ ' HH21 ' A' ' 65' ' ' ARG . 46.8 p90 -69.22 -14.03 62.73 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.697 -172.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.98 -36.05 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.23 0.538 . . . . 0.0 109.919 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CG ' HD23 ' A' ' 19' ' ' LEU . 60.8 t80 -64.13 -32.42 73.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.745 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.5 mm -56.68 -43.04 78.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.944 177.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.81 -44.09 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.818 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.51 -27.64 57.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.584 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 p -104.62 22.74 14.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.668 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 34.4 m -99.73 150.02 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 7.1 t70 -49.25 131.7 17.0 Favored Pre-proline 0 N--CA 1.466 0.327 0 O-C-N 123.43 0.456 . . . . 0.0 110.199 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.46 -19.39 17.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.425 2.083 . . . . 0.0 111.917 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.31 -32.58 14.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 122' ' ' SER . 14.1 mmt85 -92.46 -15.53 27.0 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.723 0.297 . . . . 0.0 111.161 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 9.4 ttp180 -63.78 -21.18 66.29 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.93 0.395 . . . . 0.0 111.256 -172.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.25 -29.41 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.49 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.1 mp -83.29 -1.74 53.96 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.211 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -95.4 128.26 42.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -122.7 145.24 48.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.873 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.01 -48.21 82.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.047 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.49 -46.3 90.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.377 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.85 -51.47 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -58.96 -39.29 81.24 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.202 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 15.0 ttm180 -61.08 -47.72 85.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -51.04 -42.45 60.5 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -59.88 -48.87 79.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.238 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 ptm -71.87 -19.71 61.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.11 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.1 mm-40 -78.52 -42.9 28.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.628 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.0 pt-20 -78.97 -23.85 44.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 110.978 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -134.5 108.5 8.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -78.95 114.92 18.29 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.62 116.26 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.53 -44.54 6.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 35.1 tt0 -142.72 142.26 31.94 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.534 -170.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.8 tp -111.37 134.49 52.91 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -125.65 98.71 5.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.0 118.59 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.0 mt -89.28 -50.64 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.05 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.39 159.42 32.72 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 p -141.21 156.81 45.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.774 0.287 . . . . 0.0 110.725 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -152.98 119.67 5.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.418 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 31.8 tt0 -102.45 116.0 31.72 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -114.81 82.06 1.67 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.224 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.02 -75.86 0.59 Allowed Glycine 0 CA--C 1.521 0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.813 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.3 m -137.09 -17.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -95.83 133.05 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.72 164.36 25.74 Favored Glycine 0 CA--C 1.506 -0.517 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.375 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.2 m -151.03 140.48 21.49 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.5 124.48 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' HG2' HD12 ' A' ' 79' ' ' LEU . 35.2 tt0 -97.48 133.87 41.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.494 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -148.99 169.26 21.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.344 0.592 . . . . 0.0 111.231 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -124.52 115.42 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.926 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.0 117.82 30.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.09 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 6.1 ttm180 -94.76 126.22 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -141.15 152.91 45.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -89.33 112.44 23.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -72.87 112.71 9.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.068 -175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.0 -100.41 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.307 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.73 46.34 0.65 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -147.27 -101.55 0.28 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.904 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.16 160.85 15.43 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.839 2.359 . . . . 0.0 113.15 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -94.24 111.63 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.397 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -101.36 147.09 26.73 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -115.81 143.91 44.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.98 0.419 . . . . 0.0 111.248 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -119.4 106.31 12.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.711 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.53 104.92 17.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 125' ' ' GLU . 27.4 tt0 -131.94 145.95 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 0.0 111.274 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 37.2 ttp180 -114.79 101.65 9.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.738 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -95.84 140.11 31.09 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -95.23 140.43 30.15 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.748 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.404 ' HB3' ' HE3' ' A' ' 119' ' ' TRP . 49.2 m-85 -126.91 157.54 39.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.948 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -120.6 134.74 55.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.103 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -92.89 106.54 18.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.244 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 127.13 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.22 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 61.04 20.52 10.95 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.36 0.6 . . . . 0.0 110.522 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.21 64.73 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.766 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.473 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 2.5 mpt_? -89.98 157.33 17.88 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.453 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 72.8 m95 -104.83 127.7 52.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.04 0.448 . . . . 0.0 110.576 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 99.0 m-85 -121.43 140.42 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.022 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 34.3 t80 -66.02 121.41 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.082 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 31.0 m -97.18 -50.6 4.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -166.1 171.63 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.18 170.23 39.34 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 12.9 pt-20 -172.81 153.75 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.252 0.221 . . . . 0.0 110.473 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.91 107.86 0.58 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.128 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.01 129.62 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.725 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.284 179.632 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -107.68 169.68 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.0 t -86.27 131.51 34.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.6 m -61.01 81.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 122.06 0.933 . . . . 0.0 110.075 173.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.777 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 75.1 m -167.43 168.4 13.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.878 -175.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.77 3.26 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -158.89 116.26 2.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.42 -2.66 43.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.004 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -71.41 166.85 20.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.829 0.347 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 72.1 p -71.82 -179.65 2.77 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 68.1 t80 -59.77 -50.92 71.94 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.793 172.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.24 -57.01 10.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.205 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.43 -33.09 67.55 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.24 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.48 -77.63 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.828 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.5 m -73.94 -21.77 59.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.84 -54.68 17.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.666 -0.519 . . . . 0.0 114.333 -170.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 37.7 Cg_endo -67.8 -28.83 36.17 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.7 mm? -75.47 -51.16 13.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.863 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 15' ' ' CYS . 11.8 mt -69.24 -21.56 63.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.84 -10.88 60.41 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.658 175.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 65.6 8.97 5.51 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.125 0.57 . . . . 0.0 111.403 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.3 t -93.48 -41.46 9.77 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 73.1 ttt180 -106.24 143.13 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.276 -175.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 p -90.4 134.66 34.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.236 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 111.035 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.66 5.36 3.84 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.096 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -151.75 138.53 11.98 Favored Pre-proline 0 C--O 1.235 0.316 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.99 -43.79 40.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.558 2.172 . . . . 0.0 111.697 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.1 pt-20 -67.69 -38.67 84.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.465 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -64.71 -26.96 68.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.015 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.09 -50.5 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.357 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.613 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -61.43 -38.82 88.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -170.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.613 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -75.45 -26.28 58.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.779 -176.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -76.25 -39.98 53.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -59.48 -44.48 93.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.832 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -54.2 -46.35 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.139 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.02 -41.21 91.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.92 71.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.42 -35.04 58.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.797 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.98 17.79 3.93 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.443 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.87 24.21 0.1 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.77 1.228 . . . . 0.0 113.608 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.03 68.96 10.19 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 172.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 39.9 p90 -64.6 -12.58 46.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.528 ' O ' HG12 ' A' ' 48' ' ' VAL . 28.5 t70 -69.1 -45.89 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.77 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.11 -32.31 72.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.344 0.592 . . . . 0.0 109.637 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 ' CD1' ' A' ' 39' ' ' TYR . 40.0 mm -63.46 -53.63 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.618 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 45' ' ' ASP . 12.9 p -61.18 -34.62 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 110.28 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -64.05 -38.93 92.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.642 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -91.66 18.91 6.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.4 m -99.27 152.39 19.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.0 t70 -49.56 135.4 18.42 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 122.929 0.491 . . . . 0.0 110.28 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.74 -31.38 41.28 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.764 2.309 . . . . 0.0 112.143 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.72 -41.04 31.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.058 0.456 . . . . 0.0 110.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 122' ' ' SER . 34.3 mmt180 -76.42 -25.3 54.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.925 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.516 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.7 ttp180 -60.53 -22.0 63.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.46 -177.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.56 -43.31 94.34 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.359 174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 58' ' ' LEU . 3.3 mp -88.05 -16.71 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.94 77.45 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.076 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.625 ' HB2' HG23 ' A' ' 63' ' ' VAL . 11.5 m-20 -71.38 139.56 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' NE2' HG11 ' A' ' 48' ' ' VAL . 76.4 m80 -53.65 -39.48 65.06 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.46 172.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.86 -49.79 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.276 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' A' ' 60' ' ' ASP . 61.4 t -61.07 -37.79 78.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.049 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.9 -45.23 90.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.256 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 15.4 ttm180 -58.98 -55.78 30.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.94 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.72 53.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 63.8 t-105 -68.37 -48.14 65.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.973 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.9 ptt? -64.86 -23.95 67.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.379 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.7 mt-10 -75.31 -44.38 45.75 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.251 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 12.1 pt-20 -80.57 5.46 15.32 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.731 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.6 p -158.07 110.14 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -84.43 102.3 12.68 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.4 m-85 -64.19 120.93 13.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.284 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -104.41 -55.07 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.042 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.0 tt0 -147.21 134.34 20.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -102.82 140.32 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -135.69 103.65 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 109.948 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.92 136.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.991 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.3 mt -111.91 -52.35 2.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.589 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.0 160.3 28.99 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 90' ' ' VAL . 26.3 p -163.95 143.2 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.76 0.28 . . . . 0.0 110.957 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 m -150.76 131.67 14.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.573 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -95.99 114.72 26.46 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.64 58.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.519 . . . . 0.0 109.665 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.6 -99.93 0.63 Allowed Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.46 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 m -91.4 -16.92 26.63 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.791 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.24 148.42 26.99 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.73 151.3 22.65 Favored Glycine 0 CA--C 1.507 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.761 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.9 m -140.89 128.35 21.26 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.7 p -138.24 125.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.18 132.63 52.83 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -153.6 -178.23 6.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.973 -175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.86 118.09 50.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.874 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 109.3 20.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.781 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.569 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 64.5 ttt180 -95.19 113.89 25.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -137.44 162.29 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.608 -178.529 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 74.0 ttt180 -89.95 121.45 32.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -70.92 132.46 45.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.525 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.97 77.91 0.03 OUTLIER Glycine 0 C--N 1.335 0.499 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.55 -29.17 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.82 -97.9 0.12 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.297 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -80.16 -174.63 2.34 Favored 'Trans proline' 0 C--O 1.238 0.487 0 C-N-CA 123.333 2.688 . . . . 0.0 113.88 -172.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.3 mt-10 -74.07 160.85 30.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.053 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -147.59 139.78 24.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -110.82 112.37 24.18 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -103.11 132.81 49.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -126.18 115.36 19.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.687 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.408 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 1.2 pm0 -129.17 171.71 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.439 0.638 . . . . 0.0 111.512 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 109' ' ' ARG . 33.8 ttp180 -127.79 101.46 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.178 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 42.9 m -97.46 128.7 44.45 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.093 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -91.35 143.99 26.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.747 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -129.69 156.68 43.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.291 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 113' ' ' ARG . 32.4 ttt85 -118.98 137.56 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.057 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 72.9 tttt -102.79 118.67 37.35 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.09 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.95 127.31 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.853 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 64.29 15.38 9.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.66 71.57 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.353 -0.451 . . . . 0.0 112.133 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.3 mpt_? -93.94 138.87 31.59 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 88.6 m95 -94.23 140.28 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.989 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.16 133.07 47.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.976 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.91 116.39 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 47.6 m -91.81 -45.68 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -173.25 167.25 4.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -154.09 112.7 0.54 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.993 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.95 128.98 38.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.22 106.65 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.904 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.408 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 56.7 t -86.81 120.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.915 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.295 -176.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.683 0.278 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 35.5 p30 -106.62 -169.8 1.62 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.988 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 35.8 t -126.98 147.35 50.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.99 38.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.059 0.457 . . . . 0.0 110.912 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.736 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -168.62 105.7 0.44 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.652 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.69 -93.4 0.01 OUTLIER Glycine 0 C--N 1.335 0.478 0 O-C-N 123.682 0.614 . . . . 0.0 114.078 172.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -52.19 126.78 19.85 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.117 0.567 . . . . 0.0 111.805 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 2' ' ' ASN . . . -77.88 10.34 26.33 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.96 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.6 mtmt -75.04 159.82 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 73.9 p -63.63 -178.12 0.27 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.427 0.632 . . . . 0.0 111.966 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.41 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.367 174.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 5.0 p-10 -72.94 -44.8 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.409 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.26 -34.4 70.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.777 0.322 . . . . 0.0 111.116 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 7.8 t -97.85 -80.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.622 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 m -73.53 -20.7 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -51.66 -55.18 21.47 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 -170.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 26.1 Cg_endo -63.46 -29.39 71.29 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.095 1.863 . . . . 0.0 112.274 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.2 mm? -75.33 -51.31 13.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 46' ' ' TYR . 18.9 mt -62.36 -32.57 73.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.979 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -8.41 57.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 59.43 19.1 7.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -93.86 -11.04 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.141 -174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.537 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 74.2 ttt180 -143.79 144.3 31.74 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.25 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 25.3 p -85.98 137.41 32.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.295 175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.04 68.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.723 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.4 6.58 3.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.285 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.6 m -160.36 143.64 10.1 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 122.454 0.301 . . . . 0.0 110.346 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.94 -51.02 8.7 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.081 2.521 . . . . 0.0 112.636 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.7 pt-20 -60.45 -43.58 96.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.015 0.436 . . . . 0.0 110.653 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -60.75 -35.03 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.74 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -74.28 -51.23 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.525 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 13.0 tpt -60.45 -49.68 76.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.932 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.736 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.454 -175.491 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -72.81 -39.25 66.79 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 21.9 mtm180 -61.85 -43.37 98.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -51.99 -42.01 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 110.833 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.64 87.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.627 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.62 -37.44 87.33 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' HG13 ' A' ' 47' ' ' ILE . 14.3 m-85 -59.42 -47.93 83.57 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.006 0.431 . . . . 0.0 110.134 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.05 66.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.917 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.0 19.3 13.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.417 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.22 12.89 0.15 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.788 1.235 . . . . 0.0 113.634 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 12.4 t70 -95.0 73.06 3.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.342 0.591 . . . . 0.0 109.639 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 44.5 p90 -71.97 -10.7 60.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.201 177.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.83 -53.96 48.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.348 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CG ' HD23 ' A' ' 19' ' ' LEU . 32.0 t80 -56.39 -38.74 71.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.944 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.7 mm -57.95 -52.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.46 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' PHE . 44.3 t -57.47 -38.41 63.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.439 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -68.54 -26.79 65.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.568 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -102.36 22.1 13.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.986 0.422 . . . . 0.0 111.329 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.6 m -99.7 153.83 18.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 172.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD1' ' HD3' ' A' ' 113' ' ' ARG . 26.9 t70 -49.27 137.94 14.97 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.577 175.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.39 -27.22 57.19 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.975 2.45 . . . . 0.0 112.664 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -93.61 -47.24 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 9.0 mmt85 -64.55 -26.77 68.56 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.122 0.487 . . . . 0.0 110.308 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 55.0 ttp180 -60.79 -33.06 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.331 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.91 -23.15 65.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.4 -11.28 43.64 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.317 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 2.3 m-85 -78.31 147.2 34.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.201 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -126.65 146.48 50.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.346 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -64.95 -34.63 78.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 -51.19 68.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.216 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.64 -52.45 60.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 84.4 m-20 -58.34 -37.31 74.91 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.165 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 44.2 ttm-85 -66.5 -50.63 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.275 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.11 -41.62 36.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.634 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.73 -56.9 11.08 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.834 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 ptm -64.08 -27.54 69.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.696 0.284 . . . . 0.0 111.054 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 22.8 mt-10 -81.31 -47.35 13.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.143 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 13.4 pt-20 -89.63 -9.08 50.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.217 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.0 m -136.8 110.08 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.615 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 36.4 t70 -79.59 108.77 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.724 176.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.62 118.4 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.186 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.578 HD21 ' NH2' ' A' ' 97' ' ' ARG . 10.8 mp -92.17 -62.61 1.37 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -154.53 149.57 26.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.84 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -110.66 141.75 43.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.1 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -132.82 98.87 4.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.39 127.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.86 -56.06 3.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.48 171.36 36.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.12 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.4 p -150.23 151.08 32.45 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.9 m -140.56 119.52 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.647 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -110.42 115.33 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.97 50.59 0.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.15 -114.28 4.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 p -80.8 -23.05 39.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 1.5 mmp_? -93.03 133.07 36.54 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.57 5.93 Favored Glycine 0 CA--C 1.509 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.674 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.432 ' CG2' ' HG2' ' A' ' 109' ' ' ARG . 24.6 m -129.25 148.32 51.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.98 136.01 50.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.247 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HB2' ' NH1' ' A' ' 109' ' ' ARG . 36.0 tt0 -107.43 132.27 53.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.73 177.07 9.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 111.484 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 105' ' ' SER . 60.8 mt -133.67 110.78 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.344 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.03 112.03 23.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.94 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -94.46 113.38 25.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.364 . . . . 0.0 110.14 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -134.08 170.66 15.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.925 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.578 ' NH2' HD21 ' A' ' 74' ' ' LEU . 45.2 ttm105 -114.89 110.92 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -76.11 135.2 39.84 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.416 -174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.08 -92.1 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.914 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.56 32.98 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.59 -80.96 0.03 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.536 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.19 130.99 17.18 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.663 2.242 . . . . 0.0 112.92 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 56.6 mt-10 -87.65 144.47 26.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.7 173.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -137.41 145.45 43.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 93' ' ' ILE . 25.2 p -109.58 111.39 22.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.837 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 19.7 t-160 -83.11 103.78 12.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -103.82 104.35 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -136.12 -176.18 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.477 ' NH1' ' HB2' ' A' ' 91' ' ' GLU . 56.3 ttt85 -136.15 101.86 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 25.1 m -92.99 134.03 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -173.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -96.64 143.59 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.525 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 86.7 m-85 -129.29 153.58 47.68 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.668 -176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 59.7 ttt180 -121.3 126.81 50.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.126 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -83.65 105.64 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.55 115.84 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.31 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 56.49 44.38 24.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.348 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.37 -20.11 28.3 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 33.1 mtt180 -107.93 133.66 51.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.573 0.225 . . . . 0.0 110.419 -171.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -81.39 133.42 35.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -132.33 151.86 51.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -68.54 130.28 42.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.03 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -101.31 -56.58 2.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.107 0.48 . . . . 0.0 110.48 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.17 171.68 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.934 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -150.16 126.95 2.28 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -127.4 148.44 50.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.88 111.78 10.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.935 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.47 141.73 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.899 179.2 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.709 0.29 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.01 176.65 9.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.82 127.64 37.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.834 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 4.1 m -56.4 88.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.909 0.861 . . . . 0.0 109.811 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 69.6 m -172.36 167.06 5.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.942 -175.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.37 40.67 1.99 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.4 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -154.18 123.15 6.35 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -174.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.23 -9.44 54.41 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.296 0.372 . . . . 0.0 113.211 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' ' 13' ' ' ASP . 42.4 mtpt -52.45 158.13 1.31 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.012 0.434 . . . . 0.0 111.267 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 25.3 p -72.1 -172.16 0.84 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.03 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.01 -58.15 6.85 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 26.7 t70 -68.0 -48.47 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.116 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.553 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -55.6 -23.45 27.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 111.497 -179.533 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 8.6 t -112.11 -83.26 0.59 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 67.0 m -75.02 -21.51 59.05 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -174.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.14 -55.23 16.26 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 114.475 0.55 . . . . 0.0 114.475 -169.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.596 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -61.5 -32.03 88.07 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.243 1.962 . . . . 0.0 112.492 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 17' ' ' PRO . 2.9 mm? -75.53 -47.06 28.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.51 -23.24 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.75 -7.57 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.093 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 60.79 15.81 6.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 17' ' ' PRO . 14.9 t -86.72 3.39 45.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -175.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 25.2 ttm180 -162.43 134.82 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.058 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 p -84.27 134.19 34.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.21 92.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.83 -0.52 0.98 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.408 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -141.91 134.14 13.69 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.19 -39.11 61.25 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.477 2.118 . . . . 0.0 111.966 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 10.8 pt-20 -66.86 -45.65 77.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.179 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.22 68.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.48 -44.73 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.284 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 23.2 ptt? -65.83 -37.31 85.88 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -22.89 56.67 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.096 -0.641 . . . . 0.0 110.167 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.564 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 22.4 m -71.73 -40.18 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.77 -46.8 88.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.115 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -54.14 -47.56 71.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.639 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.37 -36.41 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.016 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.17 67.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.2 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.09 -47.06 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 177.368 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -72.45 -13.04 61.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.44 19.66 20.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.52 29.59 0.42 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.469 1.107 . . . . 0.0 113.164 179.465 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -106.07 59.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 32.5 p90 -60.75 -11.29 7.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.275 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -43.44 78.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.23 -32.25 69.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.748 0.309 . . . . 0.0 110.223 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 39' ' ' TYR . 33.7 mm -55.58 -51.81 54.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.82 175.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.89 -39.33 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.33 -28.15 69.1 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.654 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -98.07 13.35 31.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -88.19 152.23 22.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.31 136.21 23.19 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.09 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.65 -24.22 17.05 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.831 2.354 . . . . 0.0 112.407 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -89.71 -45.38 9.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 122' ' ' SER . 26.1 mmt180 -70.02 -22.98 63.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.437 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -62.82 -25.0 68.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.14 -16.34 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.07 6.21 46.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.274 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.42 126.16 52.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.983 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 63' ' ' VAL . 21.2 m-20 -119.62 135.04 54.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.644 174.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 44' ' ' PHE . 48.9 m80 -55.46 -37.02 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.69 -40.81 98.3 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG23 ' HB2' ' A' ' 60' ' ' ASP . 60.9 t -68.25 -45.95 81.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.132 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.17 -35.74 77.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.279 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.651 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.7 ttp180 -61.43 -56.32 21.49 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.18 62.02 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.225 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.91 -52.88 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.762 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 ptm -71.0 -28.65 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.227 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.7 mt-10 -65.23 -37.62 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 110.854 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -96.5 4.73 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -134.98 104.13 5.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.694 0.283 . . . . 0.0 111.612 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 97' ' ' ARG . 13.7 m-20 -76.83 98.23 4.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.97 114.6 5.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 110.409 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.558 ' HB2' ' HD2' ' A' ' 95' ' ' ARG . 88.6 mt -101.96 -49.03 4.06 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.873 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB3' ' HE ' ' A' ' 95' ' ' ARG . 7.6 tp10 -153.4 153.6 32.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.9 134.24 54.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.523 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 41.2 ttm180 -127.19 99.79 5.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.174 0.511 . . . . 0.0 109.677 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' HE3' ' A' ' 32' ' ' MET . 63.5 t -77.02 139.26 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.543 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.64 -67.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.542 0.21 . . . . 0.0 110.853 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.84 165.3 27.68 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.237 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 90' ' ' VAL . 35.8 p -151.71 152.79 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.011 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -152.29 119.93 6.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.409 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.74 115.32 28.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -108.85 53.93 0.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.354 0.597 . . . . 0.0 109.587 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.57 -114.39 3.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.102 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 22.8 p -92.93 1.56 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.184 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.0 tmm_? -132.53 133.49 43.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -140.83 173.58 23.1 Favored Glycine 0 CA--C 1.508 -0.348 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.756 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 45.5 m -146.41 140.03 26.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 81' ' ' SER . 9.6 p -140.66 135.56 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -110.81 132.46 54.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.725 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.97 176.86 11.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 95.1 mt -129.22 119.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.583 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.3 111.73 23.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.558 ' HD2' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -97.59 109.98 22.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 110.322 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -129.54 162.3 28.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.7 ttm-85 -97.32 119.89 36.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -72.18 122.88 21.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.628 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.97 -78.65 0.21 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.463 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 38.57 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -150.07 -82.43 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.401 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.25 144.29 16.3 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 53.1 mt-10 -78.94 167.81 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -158.9 142.57 15.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -126.45 113.66 17.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -91.85 104.45 16.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.097 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -84.91 100.84 11.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.1 170.43 11.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 111.278 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.414 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . 52.3 ttt85 -131.48 102.63 6.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.447 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -101.65 135.13 43.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 110.806 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -97.34 138.22 35.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.836 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -122.76 150.29 42.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -110.92 126.73 55.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.109 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 76.0 tttt -91.42 110.84 22.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.2 118.19 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.205 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER 55.67 33.58 21.57 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.566 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -17.22 58.71 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.444 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.47 145.03 26.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.415 0.608 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 85.8 m95 -96.68 134.65 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.334 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -122.32 140.4 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.013 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.83 116.01 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.244 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.6 m -90.63 -54.48 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.345 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.49 162.91 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.33 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -143.22 162.1 36.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.417 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.93 115.6 19.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 109' ' ' ARG . 7.1 p -67.88 135.89 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.393 179.005 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' THR . 57.7 ttp . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -64.16 174.41 1.59 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 110.362 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 3.0 t -132.25 124.8 29.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.4 m -58.63 81.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.074 0.94 . . . . 0.0 110.267 173.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 73.8 m -163.74 149.78 11.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 72.09 0.89 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.609 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.1 p -164.9 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.13 -20.28 21.71 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.965 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 26.3 mtmt -59.6 161.01 6.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.605 0.203 . . . . 0.0 110.949 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.5 p -63.73 179.03 0.53 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.908 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -55.68 -58.58 7.23 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.508 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.49 -52.97 26.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -29.6 58.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.238 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 4.3 t -98.84 -80.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.822 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' HD12 ' A' ' 19' ' ' LEU . 53.7 m -74.47 -21.65 59.48 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.79 -55.19 18.81 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 -170.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.8 Cg_endo -68.83 -30.84 26.27 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.086 1.857 . . . . 0.0 112.591 -176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.4 mm? -71.56 -51.88 21.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 15' ' ' CYS . 71.7 mt -67.75 -27.83 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.985 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -4.93 59.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' NH2' ' HG3' ' A' ' 49' ' ' GLU . 11.1 mpt_? 63.14 2.36 1.06 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.995 0.518 . . . . 0.0 112.287 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.7 t -70.5 -16.14 62.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.96 0.41 . . . . 0.0 110.744 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 59.6 ttt180 -153.21 131.16 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.308 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 p -89.23 144.73 25.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.6 70.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.069 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.52 14.39 3.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.781 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 48.1 t -149.41 137.67 11.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.7 -47.81 12.53 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.542 2.161 . . . . 0.0 111.914 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.6 pt-20 -64.51 -44.24 91.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.529 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -63.89 -39.46 94.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.72 -38.87 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.834 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -63.66 -51.57 64.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.679 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.56 -21.49 60.34 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.269 -172.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -76.85 -37.06 56.31 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -67.55 -42.92 81.86 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.108 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -52.14 -40.64 61.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.228 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -64.5 -31.8 73.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.388 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -61.32 -37.52 83.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.448 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 1.4 m-85 -65.57 -42.03 92.22 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.409 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.75 -26.62 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 98.6 mt -94.68 17.69 12.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.161 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.649 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.3 OUTLIER 53.41 10.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.743 1.217 . . . . 0.0 113.267 177.058 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -95.55 87.69 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.422 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.15 -10.56 59.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 20.2 t70 -58.31 -56.81 17.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.46 -31.47 70.47 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.1 mm -57.92 -50.83 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' PHE . 47.4 t -60.9 -43.98 96.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.2 mm-40 -52.9 -41.8 64.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.035 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -94.37 22.47 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -101.06 146.94 26.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.843 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 15.2 t70 -48.34 140.13 9.99 Favored Pre-proline 0 C--O 1.223 -0.296 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.204 175.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.3 -37.6 94.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.397 2.064 . . . . 0.0 112.028 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.27 -38.71 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.611 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.4 mmt180 -75.99 -29.93 58.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 110.281 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -68.13 -25.19 65.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.692 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.49 -23.45 65.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.492 174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -96.51 -29.2 14.02 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.178 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.85 135.61 56.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 111.791 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.02 147.17 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.799 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -59.74 -48.56 81.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.141 -173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.67 -39.46 73.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.843 -176.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.61 -46.69 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.518 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -58.38 -38.03 76.45 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.082 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.2 ttt180 -68.21 -45.06 74.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.935 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.3 -38.21 26.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.057 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.584 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 20.7 t-105 -59.51 -51.68 68.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.649 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.1 ptt? -71.23 -20.08 62.3 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.738 0.304 . . . . 0.0 111.388 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mm-40 -76.93 -27.06 54.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.768 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -105.98 -19.77 13.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.6 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -105.81 101.38 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.758 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.5 t70 -81.12 93.37 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -61.33 127.37 31.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.082 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.41 -49.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.005 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 34.8 tt0 -148.44 152.17 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 -172.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -128.14 125.94 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -128.08 99.36 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.227 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.01 128.58 38.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.118 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 91' ' ' GLU . 85.4 mt -95.09 -59.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.45 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.97 160.44 28.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.001 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.5 p -138.07 149.46 46.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.715 0.293 . . . . 0.0 110.53 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.551 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 20.9 m -149.5 118.91 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -110.93 114.5 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 74.0 mmtt -115.15 90.25 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.221 -176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.02 -92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.37 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -122.59 -4.48 8.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -105.21 132.41 51.45 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 174.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.82 159.9 19.44 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.063 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 110' ' ' SER . 87.8 m -157.07 127.84 6.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.95 129.42 60.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.161 0.505 . . . . 0.0 110.035 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 79' ' ' LEU . 40.3 tt0 -100.28 134.39 43.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.774 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.82 171.68 19.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 107' ' ' HIS . 71.8 mt -125.74 114.11 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.131 175.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.11 115.79 28.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.042 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.552 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.3 ttm-85 -94.82 122.78 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.8 161.83 37.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.217 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 69.4 ttt180 -89.84 111.71 22.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 116.88 11.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 -170.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.71 -79.74 0.69 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.365 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.98 45.62 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.111 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.24 -81.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.289 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.7 152.12 47.33 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.575 2.183 . . . . 0.0 112.408 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.99 158.61 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -154.81 144.14 21.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.427 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 11.8 p -120.44 111.85 18.24 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -89.84 104.33 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.512 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' HB2' HG12 ' A' ' 93' ' ' ILE . 7.1 t-160 -90.7 109.51 20.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.7 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 7.7 pt-20 -131.92 173.7 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.256 0.551 . . . . 0.0 111.018 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -131.01 103.04 6.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' THR . 22.9 t -93.09 135.14 34.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.663 -170.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.92 138.79 33.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.12 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.91 146.43 50.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.144 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -104.3 126.68 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.941 0.497 . . . . 0.0 109.81 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 63.3 tttt -91.86 110.98 22.34 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.25 135.79 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.545 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 63.21 19.74 11.85 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.78 -15.59 62.27 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.912 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -100.14 156.87 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.648 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.497 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 79.0 m95 -97.81 140.85 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.374 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.1 139.75 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.183 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -69.83 113.17 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.887 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.6 m -89.06 -45.94 9.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.168 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -177.98 147.58 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.697 0.284 . . . . 0.0 110.678 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.85 143.74 15.32 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -143.16 144.14 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.43 104.06 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.08 0.467 . . . . 0.0 110.553 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.448 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 7.4 p -85.46 144.99 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.597 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.644 -176.202 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.698 0.285 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -107.16 -158.13 0.64 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.628 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 4.4 t -144.12 138.58 28.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.4 m -68.0 78.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-O 122.208 1.004 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.747 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 71.7 m -161.79 169.64 21.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.941 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.71 48.9 2.7 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 168.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -163.53 103.54 0.94 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.07 -2.17 6.36 Favored Glycine 0 CA--C 1.521 0.427 0 O-C-N 123.305 0.378 . . . . 0.0 113.682 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.0 mtmt -61.96 165.13 5.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 0.0 111.212 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.3 p -68.55 -176.85 0.84 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.307 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.23 -56.33 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 173.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.526 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 6.9 p-10 -67.53 -49.76 61.85 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.257 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.18 -21.45 59.45 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.747 0.308 . . . . 0.0 111.494 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' THR . 3.5 t -111.21 -81.36 0.58 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.73 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -73.82 -21.5 60.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -174.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.68 -55.17 18.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 114.485 0.554 . . . . 0.0 114.485 -169.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 31.0 Cg_endo -65.24 -29.06 55.48 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.329 2.02 . . . . 0.0 112.494 -178.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.28 -51.45 13.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.06 -22.33 60.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.084 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.01 -11.04 60.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.457 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 64.55 10.23 5.69 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.303 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -89.18 -33.56 16.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.238 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 69.8 ttt180 -121.74 142.84 49.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.079 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -86.88 141.77 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -54.74 -33.84 61.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.006 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.65 11.61 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.254 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 137.87 0.87 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.689 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.06 -49.56 7.85 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.815 2.343 . . . . 0.0 111.893 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.9 pt-20 -59.61 -39.95 85.9 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.192 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -60.82 -40.8 94.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.619 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD11 ' HB ' ' A' ' 50' ' ' THR . 1.6 tm? -66.94 -42.61 84.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.228 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.99 -51.75 59.96 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.4 -22.7 61.83 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.765 -173.712 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 m -76.47 -39.7 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.76 -43.95 94.07 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.139 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.07 -45.52 92.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.664 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.47 -39.26 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.629 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.66 -35.91 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -61.77 -41.6 97.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 110.201 174.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.51 62.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 88.6 mt -97.06 17.3 17.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.154 176.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.04 19.06 0.25 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.537 1.135 . . . . 0.0 113.282 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -93.36 80.94 4.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.401 0.619 . . . . 0.0 109.911 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.443 ' HE2' ' HB3' ' A' ' 61' ' ' HIS . 46.1 p90 -72.68 -26.11 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.331 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.96 -38.06 82.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.785 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 66.3 t80 -60.71 -36.3 78.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.128 0.49 . . . . 0.0 110.327 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 38' ' ' ALA . 35.8 mm -58.86 -51.95 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.69 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.5 t -53.96 -39.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.733 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.24 -38.29 90.58 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.797 0.332 . . . . 0.0 111.297 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.421 ' HB ' HD11 ' A' ' 31' ' ' LEU . 9.1 p -91.81 18.37 7.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.212 0.529 . . . . 0.0 111.379 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -97.86 150.9 20.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 9.3 t70 -48.33 132.11 13.03 Favored Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.03 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.93 -28.43 23.89 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.868 2.379 . . . . 0.0 112.325 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.66 -38.48 39.33 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 110.593 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 122' ' ' SER . 53.7 mmm-85 -81.84 -26.82 33.94 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -61.76 -35.38 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.862 -173.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.08 -24.74 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.752 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.31 -13.7 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.261 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.53 93.18 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -73.67 114.64 12.17 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.731 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 66.9 m80 -53.93 -38.83 65.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.721 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.47 -55.0 36.9 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.785 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.25 -41.36 91.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -57.42 -36.83 71.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.949 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 32.4 ttp180 -78.11 -51.62 9.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.223 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.62 60.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.568 -172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -70.72 -41.29 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.091 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.9 ptt? -71.95 -22.92 61.39 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.077 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 42.1 mt-10 -64.73 -48.27 75.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.567 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.09 -15.97 59.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.026 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 m -112.62 92.67 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 111.144 -174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.34 111.53 7.62 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.5 m-85 -77.4 122.12 24.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.461 0.172 . . . . 0.0 110.873 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.44 -56.99 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 33.0 tt0 -126.0 125.3 42.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -100.75 122.63 43.7 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 168.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 21.7 ttm180 -118.18 97.43 5.79 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -82.06 109.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.754 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 mt -73.66 -44.91 55.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.352 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.78 167.42 36.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.22 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -151.4 113.32 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 m -119.72 118.85 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.59 114.52 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -110.05 83.78 1.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.64 -119.78 13.22 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.097 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 m -92.28 -0.37 57.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.8 tmm_? -116.37 131.86 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -127.12 141.94 13.07 Favored Glycine 0 CA--C 1.506 -0.497 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.104 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 m -126.41 128.17 46.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 p -129.89 117.61 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.299 0.571 . . . . 0.0 110.303 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -94.84 125.54 39.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.456 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.88 176.25 9.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.534 . . . . 0.0 111.508 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 88.5 mt -133.63 117.82 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.196 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.98 108.88 20.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 41.5 ttm180 -96.01 123.17 39.5 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -141.89 145.34 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.788 -177.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.422 ' NH1' ' HA2' ' A' ' 100' ' ' GLY . 3.1 tmt_? -90.2 107.7 19.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 98' ' ' ARG . 1.2 ptm180 -103.73 156.2 17.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -168.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.38 -99.54 0.1 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.382 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 97' ' ' ARG . . . -163.11 48.93 0.32 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.6 -109.8 0.31 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.969 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -79.48 164.7 23.6 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.242 2.628 . . . . 0.0 113.79 -172.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.23 123.2 31.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.523 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.74 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.1 p -122.91 112.41 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 110.637 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -94.82 125.19 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.405 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -114.68 102.46 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.505 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.41 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 3.0 pm0 -122.56 169.48 10.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 110.986 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -127.92 101.36 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.1 m -94.2 132.95 38.22 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.349 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -98.87 137.55 37.28 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.977 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.46 138.38 53.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.801 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -103.85 131.08 51.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -89.52 107.06 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.955 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.93 132.92 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 61.19 21.37 11.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.589 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.94 57.85 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.484 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -93.36 152.31 19.22 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -99.64 131.03 45.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.16 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.74 142.51 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.628 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 50.0 t80 -68.46 116.22 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.0 m -93.54 -55.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -153.83 149.86 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.507 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -137.22 86.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.649 -0.581 . . . . 0.0 111.649 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.06 139.07 30.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.537 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.46 114.4 9.49 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.41 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 5.3 p -87.05 137.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 -178.821 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' THR . 23.7 mmt . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -68.51 147.45 51.98 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 9.9 t -72.19 145.21 48.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.677 0.275 . . . . 0.0 111.522 -173.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.65 49.38 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.69 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -174.18 159.01 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 78.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 O-C-N 123.395 0.435 . . . . 0.0 113.302 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 m -161.67 119.05 2.21 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.81 50.47 2.97 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.481 -0.39 . . . . 0.0 113.026 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 29.5 mtmt -140.49 173.64 11.3 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 81.9 p -69.67 -176.99 1.13 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.848 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.58 -58.74 4.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.9 -40.42 96.46 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.85 -44.02 91.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.958 0.409 . . . . 0.0 110.684 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 8.5 t -87.43 -82.97 0.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 58.8 m -73.75 -20.12 60.59 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.98 -54.55 22.22 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.386 -0.674 . . . . 0.0 114.214 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -62.47 -30.69 80.3 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.479 2.119 . . . . 0.0 112.606 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.6 -51.26 24.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 110.14 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.81 -21.14 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.86 -3.25 47.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.838 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 59.77 16.37 5.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.819 0.448 . . . . 0.0 111.454 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.8 t -93.23 -27.77 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.579 0.228 . . . . 0.0 111.417 -176.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 61.8 ttt180 -129.42 134.4 47.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.366 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 p -88.85 133.56 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.179 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.81 80.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.78 13.56 2.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.298 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 t -148.09 137.29 11.97 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.59 -49.96 13.23 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.809 2.339 . . . . 0.0 112.204 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 5.6 pt-20 -64.53 -43.23 94.67 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.977 0.417 . . . . 0.0 110.422 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -61.12 -37.23 82.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.781 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 3.2 tm? -75.58 -43.1 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.576 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.485 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.86 -35.19 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.075 -176.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -75.34 -27.12 59.09 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -177.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 20.9 p -77.31 -34.99 55.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 47' ' ' ILE . 19.2 ttt180 -63.63 -43.82 95.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.249 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.88 -45.77 74.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.09 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.48 -36.95 85.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.85 -47.46 85.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -19.08 64.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.56 19.46 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.664 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 48.26 21.35 0.34 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.744 1.217 . . . . 0.0 112.965 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.67 58.57 5.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 109.955 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.613 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 40.4 p90 -65.13 -19.62 66.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.575 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 30.5 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.16 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -56.22 -32.86 64.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' A' ' 38' ' ' ALA . 31.7 mm -63.78 -52.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 60.7 t -56.21 -39.79 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.526 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 39.3 mt-10 -64.07 -40.11 95.54 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.883 177.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 p -85.09 12.82 7.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.36 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.31 150.51 20.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' A' ' 113' ' ' ARG . 14.9 t70 -56.58 136.83 77.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.73 -38.16 55.75 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.764 2.309 . . . . 0.0 112.341 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.31 -37.79 63.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.548 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.6 -23.53 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.7 ttp180 -68.2 -27.56 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.043 174.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.55 -5.92 19.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.271 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.7 t80 -95.87 87.76 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.196 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.0 131.67 43.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.674 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 48' ' ' VAL . 79.2 m80 -58.63 -38.47 78.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.84 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.33 -51.03 65.99 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.3 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.66 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 37.5 m-80 -61.16 -43.54 98.72 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 18.3 ttp180 -65.75 -53.51 39.62 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -54.77 -39.91 68.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.377 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -61.13 -53.05 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -67.14 -22.97 65.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.695 -178.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 22.1 mm-40 -74.76 -37.27 62.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.4 pt-20 -94.66 -1.78 52.5 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.693 0.283 . . . . 0.0 111.366 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -138.71 99.68 3.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.801 0.334 . . . . 0.0 110.181 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 35.6 t70 -80.31 98.72 7.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.262 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 97.0 m-85 -60.83 137.29 58.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.062 0.458 . . . . 0.0 111.604 -175.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 mt -122.36 -51.05 1.98 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.477 -172.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.33 149.13 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.059 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 tp -114.44 145.51 41.78 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 30.1 ttt85 -138.62 99.47 3.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.94 136.68 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.246 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.6 mt -109.51 -58.89 1.98 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 110.968 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.79 166.99 28.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.057 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.6 p -162.59 143.65 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.747 0.274 . . . . 0.0 111.048 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -148.95 135.89 19.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.235 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 38.1 tt0 -116.64 115.32 25.47 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -109.75 50.75 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.228 0.537 . . . . 0.0 109.702 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.96 -104.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.483 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 14.6 m -85.97 -14.16 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -177.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -117.11 134.01 55.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.36 154.51 25.13 Favored Glycine 0 CA--C 1.509 -0.29 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.322 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -139.54 138.54 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 5.1 p -143.34 134.81 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 109' ' ' ARG . 39.9 tt0 -110.74 136.04 50.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.396 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -156.77 171.75 19.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.0 111.049 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 107' ' ' HIS . 81.0 mt -126.29 122.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.247 175.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.15 118.38 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -94.13 122.0 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.5 p90 -139.25 155.8 47.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.131 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.506 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 12.4 ttp85 -88.94 110.69 21.32 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.68 111.64 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.633 -172.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.92 -89.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.841 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -156.23 25.88 0.54 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.37 -103.85 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.589 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -85.66 157.31 10.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.047 2.498 . . . . 0.0 113.111 -175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.21 108.95 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -98.75 140.54 32.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.553 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 p -115.01 114.2 25.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 15.1 t60 -92.9 107.11 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.877 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.5 t-160 -103.17 120.04 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.47 176.25 10.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.116 0.484 . . . . 0.0 110.33 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 91' ' ' GLU . 33.6 ttm180 -128.56 101.79 6.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.7 m -92.31 135.61 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 23.1 mp0 -101.31 140.5 35.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -125.67 164.98 19.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.97 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.462 HH21 ' CG ' ' A' ' 52' ' ' ASP . 24.0 ttp180 -129.06 132.16 47.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.986 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 66.7 tttt -94.61 106.46 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.764 -173.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.432 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -117.53 123.66 46.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.11 23.19 8.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.338 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.33 67.68 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.073 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -91.18 137.16 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.461 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 83.4 m95 -91.04 128.16 36.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.838 0.352 . . . . 0.0 110.596 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 115' ' ' ALA . 86.7 m-85 -119.52 134.81 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.65 120.7 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.971 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 m -100.81 -46.13 5.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.9 pt-20 -165.93 170.32 13.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.28 31.08 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.3 138.14 9.79 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.964 0.382 . . . . 0.0 111.22 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.16 119.72 15.69 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 173.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 109' ' ' ARG . 11.4 t -83.07 139.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.466 -171.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.782 -0.627 . . . . 0.0 109.897 176.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.21 150.15 43.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.915 0.388 . . . . 0.0 110.406 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 t -82.86 142.55 31.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.8 m -68.62 76.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.937 0.875 . . . . 0.0 110.263 172.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 57.7 m -166.33 139.43 3.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.706 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.88 87.22 0.02 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 p -169.19 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 0.0 110.174 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.26 -22.38 35.18 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.986 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.1 mtmt -68.38 162.38 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.481 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 32.2 p -69.57 179.15 2.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.88 -50.8 72.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.15 -56.57 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.31 -26.61 66.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.9 t -100.93 -80.66 0.49 Allowed 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.4 m -74.15 -21.31 59.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.35 -55.88 14.79 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.523 -0.598 . . . . 0.0 114.421 -170.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.5 Cg_endo -65.95 -30.03 48.78 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.19 1.927 . . . . 0.0 112.693 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.12 -51.5 13.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.788 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.13 -25.96 65.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -10.59 59.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 49' ' ' GLU . 6.2 mmt85 65.11 6.82 3.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.679 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -80.38 -23.1 40.7 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.253 -174.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -142.24 134.11 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.732 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 m -84.98 140.1 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.108 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.85 78.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.88 9.67 3.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.148 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.9 m -148.88 136.31 10.96 Favored Pre-proline 0 C--O 1.235 0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.18 -45.11 40.48 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.635 2.224 . . . . 0.0 111.965 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.31 -42.5 96.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.47 -18.98 63.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.582 HD11 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -90.22 -47.66 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.55 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 4.4 ppp? -61.32 -42.6 98.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.14 -172.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.61 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.5 -22.97 62.59 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.377 -178.213 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 m -76.02 -41.88 49.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.582 ' HD2' HD11 ' A' ' 31' ' ' LEU . 40.9 mtp180 -66.45 -38.71 87.97 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.032 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' PHE . 76.3 t80 -52.91 -47.48 67.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.393 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -63.21 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.905 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.98 88.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.546 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE1' HG13 ' A' ' 47' ' ' ILE . 3.5 m-85 -65.18 -47.42 77.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.885 0.374 . . . . 0.0 110.498 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.35 -28.54 70.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.3 mt -98.76 17.62 18.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.93 25.07 0.09 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.589 1.156 . . . . 0.0 113.247 -179.373 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -96.89 64.47 2.03 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 29.9 p90 -67.26 -10.82 54.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.718 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 24.5 t70 -56.43 -50.53 71.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.433 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.12 -32.71 74.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 ' O ' ' A' ' 35' ' ' ARG . 27.1 mm -55.35 -52.22 48.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.661 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 39.2 t -56.88 -42.76 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.62 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 21' ' ' ARG . 36.3 mt-10 -60.15 -42.6 95.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -91.7 21.3 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.171 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -97.65 150.74 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.66 135.05 45.2 Favored Pre-proline 0 N--CA 1.463 0.199 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.804 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.76 -35.02 67.52 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.581 2.187 . . . . 0.0 112.152 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.99 -33.62 65.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.4 mmm180 -85.26 -32.0 22.8 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.86 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 43.8 ttp180 -66.58 -20.57 66.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.941 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.81 -31.24 70.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.654 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.2 mp -90.77 -32.7 16.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.58 ' HD2' HD22 ' A' ' 64' ' ' ASN . 2.8 m-85 -56.7 124.73 19.4 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -174.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 63' ' ' VAL . 6.4 m-20 -111.16 140.19 45.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 167.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -61.37 -37.88 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.658 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.51 -37.72 88.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.701 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 60' ' ' ASP . 44.3 t -71.01 -37.1 66.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.065 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.58 HD22 ' HD2' ' A' ' 59' ' ' PHE . 4.4 m-20 -62.07 -37.98 87.09 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 11.9 ttm180 -64.43 -46.54 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.956 174.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -52.63 -46.91 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.392 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 15.2 m0 -56.47 -52.83 63.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.425 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 10.6 ptm -66.26 -21.64 66.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.348 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -78.4 -44.0 26.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -91.03 -6.08 54.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 111.09 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -131.63 91.22 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.962 171.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.11 89.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.986 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 97.8 m-85 -58.8 114.53 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.875 0.369 . . . . 0.0 111.627 -175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.7 -61.45 1.39 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.335 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -127.5 141.71 51.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.831 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.7 tp -110.38 131.91 54.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 171.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.659 ' NH2' HH22 ' A' ' 95' ' ' ARG . 26.4 ttm180 -125.5 98.19 5.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.78 130.15 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.992 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 mt -105.09 -56.5 2.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.948 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.93 164.83 31.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.167 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -159.27 152.27 22.07 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.716 0.293 . . . . 0.0 110.975 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -149.08 135.47 19.34 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.21 115.07 29.59 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -107.97 53.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 0.0 109.547 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.79 -107.79 3.33 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.991 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.587 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 71.2 m -101.68 9.17 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.784 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.524 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -138.3 133.35 32.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.404 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.82 179.56 24.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.773 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.7 m -152.39 149.96 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.423 0.289 . . . . 0.0 110.262 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 2.4 p -146.04 124.1 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 109.982 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.45 137.47 34.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.654 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -155.08 -178.22 7.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 77.9 mt -129.52 110.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.301 174.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.69 109.17 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.873 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.659 HH22 ' NH2' ' A' ' 77' ' ' ARG . 39.0 ttm180 -97.46 138.18 35.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.48 151.45 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.216 0.531 . . . . 0.0 111.364 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -93.01 130.16 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -99.71 131.54 45.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.664 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.69 40.48 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 113.428 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.19 12.05 62.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.326 -0.464 . . . . 0.0 113.078 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.55 -99.82 1.95 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.309 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.6 155.95 65.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.808 2.338 . . . . 0.0 112.706 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -98.82 138.79 35.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.935 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -128.92 137.53 51.47 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 32.3 m -114.98 130.67 56.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.094 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -113.64 127.69 56.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -105.42 101.18 10.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.74 170.81 8.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.68 0.752 . . . . 0.0 111.419 -176.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -137.25 101.49 4.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -99.96 137.7 38.05 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.062 0.458 . . . . 0.0 111.558 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.524 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.8 mp0 -97.63 139.66 33.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.694 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -124.94 150.35 46.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.693 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -111.48 148.15 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 77.9 tttt -113.4 129.01 56.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.759 0.314 . . . . 0.0 110.584 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -142.16 125.82 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.192 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 4.0 mpt_? 56.34 26.52 10.71 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 93.01 -20.01 48.52 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.257 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 143.39 27.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.084 0.442 . . . . 0.0 109.896 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -97.83 141.81 30.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -130.58 141.93 50.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.526 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -71.95 118.12 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.984 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.7 m -93.8 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -143.24 139.29 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.678 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.21 106.92 0.78 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.11 167.75 13.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.447 0.299 . . . . 0.0 110.205 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.31 151.44 42.76 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 129.23 34.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.0 0.429 . . . . 0.0 111.172 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.952 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -75.69 155.87 35.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.223 0.535 . . . . 0.0 111.24 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 6.4 t -73.2 131.17 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.61 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.604 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 6.8 m -57.91 87.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.788 0.804 . . . . 0.0 109.786 172.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 97.5 m -171.64 164.0 6.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.406 -173.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.75 59.21 2.99 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 p 179.4 117.24 0.05 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.669 0.788 . . . . 0.0 109.214 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.08 10.84 8.93 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.893 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -70.49 166.32 20.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.081 0.44 . . . . 0.0 110.027 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 57.6 p -73.16 175.97 6.29 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.007 0.432 . . . . 0.0 111.436 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.03 -58.13 9.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.53 -41.68 98.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.15 -47.19 80.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.512 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.9 OUTLIER -84.8 -74.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.937 -177.02 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 55.9 m -74.14 -24.06 59.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.63 -55.27 14.24 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.558 -0.579 . . . . 0.0 114.466 -169.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.1 Cg_endo -63.83 -30.19 68.19 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.279 1.986 . . . . 0.0 112.565 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.5 mm? -75.59 -49.58 18.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.99 -25.49 64.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.01 -7.14 47.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.331 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 61.57 14.02 5.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.178 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -105.34 -6.41 19.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.575 -172.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -130.44 135.19 47.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -90.1 122.62 33.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.567 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.26 68.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.666 0.269 . . . . 0.0 111.249 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.02 7.32 2.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.503 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -150.62 136.35 10.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.1 -42.05 61.4 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.523 2.149 . . . . 0.0 112.22 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -71.87 -30.7 65.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -178.42 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -73.07 -36.32 66.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 110.668 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -75.64 -38.63 58.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.593 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 20.4 ptm -64.18 -50.18 69.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' N ' ' HG3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.86 -24.29 58.55 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.007 -172.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 p -72.17 -47.47 50.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -69.23 -32.36 71.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 178.39 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -51.54 -43.9 62.5 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.97 0.414 . . . . 0.0 110.657 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.578 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.846 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.11 -37.43 85.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.561 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 2.1 m-85 -62.65 -41.99 99.36 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.214 175.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.38 69.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -91.01 15.12 12.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.43 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.591 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 45.58 23.41 0.14 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.459 1.103 . . . . 0.0 112.591 -178.078 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.95 85.67 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.58 . . . . 0.0 109.966 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.4 p90 -71.77 -13.61 61.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.548 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.43 -55.2 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.407 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -64.28 -32.77 74.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.977 0.418 . . . . 0.0 110.692 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 35' ' ' ARG . 51.6 mm -62.23 -53.08 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 44' ' ' PHE . 40.7 t -55.1 -41.96 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.86 -177.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.06 -31.47 71.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 p -91.59 19.39 6.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.282 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.271 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 12.2 t70 -50.08 135.56 22.02 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.171 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.72 -33.97 72.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.706 2.27 . . . . 0.0 112.127 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -78.55 -33.97 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 43.8 mmt-85 -80.19 -25.89 39.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.225 0.536 . . . . 0.0 110.141 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.42 -27.23 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.46 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.4 -44.28 95.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.196 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.62 -25.87 61.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.345 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.84 102.94 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.376 174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.47 143.45 37.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -54.61 -47.31 73.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -170.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.66 -47.8 83.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 111.097 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.23 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.357 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -58.36 -36.6 73.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 42.7 ttp180 -76.97 -46.21 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.123 178.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.88 -40.57 30.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.369 -174.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -58.21 -54.71 43.87 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.611 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.591 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 15.8 ptm -65.05 -30.28 71.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.314 -174.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 33.4 mt-10 -63.53 -29.76 70.98 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.6 10.33 21.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.738 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -135.24 76.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.673 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.58 93.18 0.15 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.356 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.9 m-85 -58.73 131.34 50.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.048 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.16 -51.12 2.64 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -150.84 148.14 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.613 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.6 tp -120.11 126.89 51.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.205 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -115.44 98.67 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -82.53 126.79 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.421 HD12 ' HG2' ' A' ' 91' ' ' GLU . 68.5 mt -95.36 -60.18 1.72 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.061 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.14 29.52 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.616 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -137.17 157.48 46.57 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.688 0.28 . . . . 0.0 110.393 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.1 m -150.07 135.05 17.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.174 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.63 114.99 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -105.03 80.79 1.65 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.1 -94.42 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.563 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 m -117.4 3.42 12.52 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -128.61 133.5 48.33 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.57 175.86 18.12 Favored Glycine 0 CA--C 1.505 -0.57 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.76 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -154.39 141.05 18.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.509 HG21 ' SD ' ' A' ' 32' ' ' MET . 7.3 p -134.54 131.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.87 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.4 tt0 -100.21 138.82 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.415 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -154.81 179.51 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.21 0.528 . . . . 0.0 111.664 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 68.4 mt -134.29 113.17 16.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.194 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.12 113.98 26.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.375 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -95.62 121.08 36.95 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.9 p90 -143.77 155.24 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.068 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.5 ttp180 -89.84 107.8 19.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -72.98 146.39 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.97 80.35 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 O-C-N 123.605 0.565 . . . . 0.0 112.194 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.64 -36.86 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.28 -69.68 0.27 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.746 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -76.09 158.74 37.82 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.752 2.301 . . . . 0.0 113.699 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.5 mt-10 -83.11 112.22 19.61 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.758 175.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -100.65 142.61 31.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.001 0.429 . . . . 0.0 110.139 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.0 p -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.5 119.19 34.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -102.23 101.06 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.062 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 -176.17 3.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.564 ' HB2' HG22 ' A' ' 127' ' ' VAL . 21.4 ttt85 -136.84 104.46 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 p -92.43 131.47 37.56 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 125' ' ' GLU . 24.2 mp0 -96.83 135.77 38.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.371 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.68 159.16 25.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.391 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -122.96 142.48 50.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.727 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -105.89 113.82 27.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.196 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.14 129.69 34.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.784 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.47 19.27 11.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 109.624 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.56 63.05 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.483 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 3.8 mpt_? -93.85 157.03 16.33 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -104.9 140.14 38.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -131.79 141.95 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.088 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -70.81 117.48 12.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.685 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.4 m -97.92 -52.44 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 111.212 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -159.2 178.26 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.805 -174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -156.4 134.72 4.18 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' HG2' HE22 ' A' ' 111' ' ' GLN . 12.6 pt-20 -125.62 153.69 43.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 110.245 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.27 126.86 31.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.223 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.564 HG22 ' HB2' ' A' ' 109' ' ' ARG . 95.9 t -63.83 108.36 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.238 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.862 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.719 0.295 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -101.48 173.72 6.3 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -84.58 147.89 26.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.732 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.83 45.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 110.856 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.32 133.13 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.49 85.0 0.01 OUTLIER Glycine 0 C--N 1.336 0.531 0 O-C-N 123.748 0.655 . . . . 0.0 113.732 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.54 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 23.7 m -132.93 -11.62 2.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.563 0.221 . . . . 0.0 111.244 175.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.75 24.54 69.85 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.005 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.4 mmmt -128.07 166.63 18.07 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.863 0.465 . . . . 0.0 110.325 -173.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 70.4 p -75.09 -171.99 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 176.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -75.3 -55.77 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 m-20 -58.01 -45.11 87.39 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.553 -174.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' HB3' ' HE3' ' A' ' 9' ' ' LYS . 7.2 m-20 -70.98 -40.32 71.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 41.0 t -88.02 -93.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.455 -170.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 99.5 m -74.26 -20.29 60.2 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -52.12 -54.8 24.5 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.658 -0.523 . . . . 0.0 114.361 -173.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 29.6 Cg_endo -63.47 -26.7 70.28 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.227 1.951 . . . . 0.0 112.413 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.7 mm? -75.2 -51.11 14.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.218 0.533 . . . . 0.0 109.736 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.37 -26.08 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.31 -12.52 60.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.671 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 63.55 27.76 15.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.033 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -111.42 -25.91 9.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.458 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.8 ttm180 -122.47 136.18 54.83 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.869 0.366 . . . . 0.0 111.182 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 p -87.43 133.55 33.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.268 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.55 76.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.392 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.46 18.56 6.99 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.645 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.5 t -159.16 139.0 8.63 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.06 -45.45 27.95 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.629 2.219 . . . . 0.0 112.028 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB3' ' OG ' ' A' ' 81' ' ' SER . 7.7 pt-20 -67.51 -43.3 81.2 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.557 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -63.77 -19.96 65.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.997 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB ' ' A' ' 50' ' ' THR . 2.6 tm? -89.86 -41.87 11.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.651 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.3 tmm? -61.45 -50.38 73.01 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.614 -173.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.455 -176.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.676 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 m -75.98 -43.62 43.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 32' ' ' MET . 34.7 ptt180 -62.65 -37.63 87.12 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.036 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 64.1 t80 -56.38 -43.81 79.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 110.211 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.85 78.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.64 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.5 85.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.774 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' HG13 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.71 -39.4 93.58 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.723 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.35 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' LYS . 97.7 mt -95.62 6.68 48.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.704 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 75.29 -27.38 0.19 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.283 0.633 . . . . 0.0 112.561 177.53 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.41 78.9 0.39 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.158 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -71.87 -9.82 58.88 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.02 0.438 . . . . 0.0 110.528 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.19 -45.47 53.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.685 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 75.4 t80 -60.41 -34.06 73.4 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 35' ' ' ARG . 38.2 mm -60.59 -48.2 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 109.645 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 56' ' ' ARG . 25.7 t -59.46 -34.85 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.095 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -71.62 -20.27 62.0 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.707 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.512 ' HB ' HD11 ' A' ' 31' ' ' LEU . 21.2 p -113.63 22.68 13.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 111.513 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -118.02 134.77 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' N ' ' HB3' ' A' ' 120' ' ' TYR . 1.8 m-20 -52.54 139.06 39.77 Favored Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.125 0.266 . . . . 0.0 110.442 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 56' ' ' ARG . 10.3 Cg_endo -50.2 -34.78 40.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.042 2.495 . . . . 0.0 112.351 -174.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.964 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -87.77 -31.47 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.229 0.537 . . . . 0.0 109.933 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 20.4 ttt180 -60.86 -35.06 75.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.238 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.19 -33.0 74.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.366 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.5 mt -78.75 -19.87 51.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -68.49 110.53 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.15 136.83 37.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.775 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -57.07 -45.18 83.48 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.351 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.48 -51.15 70.7 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.477 0.656 . . . . 0.0 110.315 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.28 -49.19 74.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.125 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.16 -32.13 71.85 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.8 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 41.8 ttt-85 -70.47 -45.79 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.27 -37.92 49.91 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.874 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -55.73 -57.26 12.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.028 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -67.71 -25.91 65.91 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.73 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 16.2 mm-40 -63.19 -38.58 91.75 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.73 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HB2' ' NH2' ' A' ' 98' ' ' ARG . 12.7 pt-20 -113.99 18.91 16.93 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.676 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -145.1 101.76 3.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.811 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.26 107.75 17.44 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.3 m-85 -65.1 124.21 21.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.237 -175.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 96' ' ' PHE . 78.6 mt -101.03 -57.58 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 -175.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -148.35 153.02 38.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.624 -171.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -125.86 127.84 46.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -130.45 109.9 11.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.158 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.19 129.05 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 91' ' ' GLU . 77.6 mt -94.95 -50.04 5.29 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.01 158.45 29.44 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.143 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 29' ' ' GLU . 44.8 m -148.17 144.11 27.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.2 m -147.35 119.21 8.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.0 124.42 43.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.924 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -117.96 90.92 3.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.55 -90.74 0.12 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.397 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -125.4 -4.18 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 111.069 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' A' ' 87' ' ' ARG . 1.7 tmm_? -114.38 133.16 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.61 166.05 25.15 Favored Glycine 0 CA--C 1.509 -0.331 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.605 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 m -146.42 143.13 28.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.4 132.37 31.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.987 0.422 . . . . 0.0 110.753 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.2 tt0 -104.3 139.84 38.72 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.66 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' ' HG ' ' A' ' 79' ' ' LEU . 23.0 p90 -157.85 -177.18 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -135.88 114.52 15.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.557 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.51 112.12 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.196 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -95.61 126.29 40.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.2 p90 -150.08 162.4 40.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.673 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -89.57 118.66 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 1.6 tpm_? -69.92 94.31 0.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.137 -175.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.14 -93.76 0.17 Allowed Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.967 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.06 26.7 1.59 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -120.01 -105.43 2.08 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.362 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -84.77 160.45 12.17 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.034 2.489 . . . . 0.0 113.141 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.46 106.74 17.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -98.33 141.41 31.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.986 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -125.32 112.62 16.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.923 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -88.9 114.97 26.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.812 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -97.12 108.96 21.8 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.94 175.42 9.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.157 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.567 ' HB2' HG11 ' A' ' 127' ' ' VAL . 40.8 ttm180 -138.14 107.91 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.468 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 14.9 p -100.75 134.05 44.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.825 0.345 . . . . 0.0 111.406 -175.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 1.3 mp0 -92.19 141.63 28.37 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.729 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.426 ' CE2' HD12 ' A' ' 31' ' ' LEU . 83.0 m-85 -126.68 146.92 50.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.843 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -117.09 133.92 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -92.27 114.22 26.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.968 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -133.27 136.07 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.154 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.87 24.63 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.333 0.587 . . . . 0.0 110.349 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.47 -18.19 53.23 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.102 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 157.0 16.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 117.017 0.409 . . . . 0.0 110.14 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -102.71 131.68 49.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.901 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 61.5 m-85 -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.441 . . . . 0.0 110.367 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.05 117.17 16.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.597 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -96.58 -44.5 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.781 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.8 pt-20 -166.78 158.23 12.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.474 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -152.86 123.74 1.49 Allowed Glycine 0 CA--C 1.517 0.158 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.154 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.45 143.58 45.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.529 0.332 . . . . 0.0 110.921 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.88 104.34 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 109' ' ' ARG . 9.9 p -101.22 158.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.509 . . . . 0.0 112.252 -166.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.245 173.169 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -129.29 -164.25 1.38 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.4 t -148.71 129.67 14.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.582 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.8 m -59.52 84.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 122.244 1.021 . . . . 0.0 109.81 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.582 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 99.2 m -171.27 153.48 3.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.843 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' LEU . . . -74.49 52.92 2.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.606 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -160.87 122.63 3.04 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.62 55.89 4.46 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.459 -0.401 . . . . 0.0 113.193 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 35.0 mtmt -124.26 163.49 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 82.0 p -68.51 170.46 9.05 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 111.233 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 39.6 t80 -59.33 -52.68 64.62 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.91 -55.17 38.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.852 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.13 -50.31 71.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.525 0.679 . . . . 0.0 110.731 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.4 t -79.77 -75.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.783 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.8 m -74.54 -24.99 59.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.63 -55.2 21.32 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 47.7 Cg_endo -70.27 -26.61 25.0 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.08 1.854 . . . . 0.0 112.421 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.32 -47.94 25.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.885 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 ' CG ' ' A' ' 46' ' ' TYR . 28.0 mt -61.36 -32.02 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.49 -6.02 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.89 16.27 3.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.21 -19.51 56.59 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.824 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 63.8 ttt-85 -130.78 130.02 43.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.706 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 p -86.44 126.86 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -51.16 -37.5 46.67 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.219 0.324 . . . . 0.0 111.232 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.96 15.44 9.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.664 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 p -159.49 141.88 10.02 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.814 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.45 -49.02 6.45 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.704 2.269 . . . . 0.0 113.072 -172.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -65.65 -30.08 70.74 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.686 0.279 . . . . 0.0 111.637 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -69.45 -49.07 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.172 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.2 tm? -61.24 -35.82 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.172 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 76' ' ' LEU . 16.5 tmm? -64.22 -50.21 68.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.446 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.41 -28.26 62.86 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.978 -175.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 51.8 p -69.79 -44.19 70.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.253 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -72.24 -32.5 66.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 -178.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 52.5 t80 -52.33 -44.92 65.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 110.537 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.92 -36.72 82.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -59.44 -36.17 75.42 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.75 -46.86 88.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.193 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.46 -17.9 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 93.5 mt -99.1 4.74 47.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.61 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 4.7 tppp? 70.53 3.38 4.48 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.247 0.546 . . . . 0.0 110.957 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.14 79.3 5.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.214 0.53 . . . . 0.0 110.557 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -72.65 -9.93 59.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.559 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.26 -51.08 70.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.718 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CG ' HD23 ' A' ' 19' ' ' LEU . 52.6 t80 -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.6 mm -62.63 -59.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.5 -35.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.658 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -67.5 -30.39 70.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.586 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.554 ' HB ' HD11 ' A' ' 31' ' ' LEU . 32.4 p -98.01 22.26 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -113.07 138.07 50.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.171 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.32 136.02 16.46 Favored Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 123.363 0.414 . . . . 0.0 109.978 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.91 -41.02 65.6 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 111.413 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.32 -28.86 67.19 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.2 mmt180 -99.25 -25.11 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.176 0.513 . . . . 0.0 110.285 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -64.13 -35.13 79.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.08 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.0 -27.12 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.138 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.6 -6.92 51.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.478 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -71.42 144.43 49.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 10.0 m-20 -118.98 129.29 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.225 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -59.56 -50.38 74.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.46 -48.01 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.035 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 60' ' ' ASP . 78.1 t -62.88 -36.2 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.729 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' HA ' ' CE3' ' A' ' 67' ' ' TRP . 33.0 t-20 -57.68 -46.23 84.55 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.394 0.616 . . . . 0.0 109.553 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 39.0 ttm180 -66.81 -42.23 86.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.382 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.93 -37.25 60.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 24.3 m0 -57.84 -52.73 64.29 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.139 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 17.8 ptm -69.15 -31.17 69.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.699 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 18.8 mm-40 -57.68 -45.65 85.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.947 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 12.0 pt-20 -99.45 12.93 35.04 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -146.39 79.99 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.811 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.66 101.44 1.03 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.959 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 87.6 m-85 -69.74 123.06 20.44 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.71 -175.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 96' ' ' PHE . 10.8 mp -93.54 -65.45 0.99 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.053 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.43 157.66 40.25 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.68 0.276 . . . . 0.0 110.691 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' SD ' ' A' ' 32' ' ' MET . 53.0 tp -110.23 150.4 28.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -176.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.89 103.88 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -85.83 109.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.66 0.266 . . . . 0.0 110.288 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.12 -64.38 1.15 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.816 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.0 153.03 24.74 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.316 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 p -135.27 153.24 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.621 0.248 . . . . 0.0 110.544 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -147.02 119.74 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.455 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -101.32 121.58 42.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -120.9 83.17 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.191 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.98 -90.1 0.21 Allowed Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.305 -0.474 . . . . 0.0 112.582 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -125.96 2.84 7.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 110.594 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -115.25 133.13 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.97 158.07 19.38 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.879 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -150.14 131.74 14.88 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.7 131.56 50.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -105.02 129.61 53.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.12 176.16 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.398 0.618 . . . . 0.0 111.861 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 105' ' ' SER . 66.4 mt -132.18 121.89 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.557 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.38 123.15 46.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -95.35 132.8 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.7 p90 -154.34 159.67 41.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.33 115.03 26.5 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -69.64 119.16 13.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.219 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.64 -82.62 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.55 23.46 0.23 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.92 -103.28 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.282 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.06 137.07 43.14 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.899 2.399 . . . . 0.0 113.108 -170.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.95 101.45 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.203 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -96.55 145.7 25.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 6.8 p -116.16 112.15 21.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.228 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 7.1 t60 -83.25 111.59 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.142 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 93' ' ' ILE . 10.1 t-160 -102.96 119.07 38.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.628 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 7.1 pt-20 -153.9 -175.98 5.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.003 0.43 . . . . 0.0 111.022 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -133.47 107.9 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.622 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 m -97.51 139.29 33.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.996 0.427 . . . . 0.0 111.31 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -97.92 141.34 31.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.066 175.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -128.1 148.53 50.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.634 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -120.87 131.56 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 0.0 110.386 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.99 110.1 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.63 131.13 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.188 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 61.84 21.96 12.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.631 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.67 66.84 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.825 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -102.32 156.75 17.38 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -97.72 132.85 42.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.71 0.291 . . . . 0.0 110.34 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.88 158.63 33.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.362 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -82.73 119.31 24.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.529 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.57 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 18.4 m -91.98 -45.95 8.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.32 154.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.512 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.81 130.88 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -155.12 171.37 19.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.86 0.362 . . . . 0.0 110.681 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.23 15.02 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.028 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.0 p -104.29 139.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.642 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.176 178.009 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' THR . 16.1 mmt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.769 0.318 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -66.46 137.3 56.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.277 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.7 t -79.95 142.04 35.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.574 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.7 m -68.13 73.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 122.229 1.014 . . . . 0.0 110.102 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 37.7 m -167.16 149.3 6.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.813 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.64 70.81 1.11 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 m -130.22 -36.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.681 0.277 . . . . 0.0 111.572 -171.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.44 22.2 78.84 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.071 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -129.54 171.55 12.47 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.564 0.221 . . . . 0.0 110.423 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.9 p -73.07 178.96 4.03 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 44.6 t80 -60.34 -50.52 73.29 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 174.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.31 -47.81 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.557 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.87 -32.14 71.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.93 -78.34 0.46 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.783 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.0 m -73.87 -21.17 60.19 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.89 -55.17 15.48 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.352 -0.693 . . . . 0.0 114.755 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 41.7 Cg_endo -68.45 -25.53 35.41 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.042 1.828 . . . . 0.0 112.442 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.8 mm? -75.44 -51.6 12.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.302 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 15' ' ' CYS . 39.0 mt -72.3 -21.89 61.28 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.541 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -72.03 -9.37 58.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.041 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 21' ' ' ARG . 11.2 mmm180 59.65 27.38 16.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.499 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.5 t -109.09 -24.56 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.436 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 14.4 ttm180 -123.81 145.9 48.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 111.48 -176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -96.09 134.69 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.51 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.966 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.29 13.15 6.75 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.007 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -159.7 140.47 9.05 Favored Pre-proline 0 C--O 1.235 0.3 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -60.49 -42.35 41.33 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.511 2.141 . . . . 0.0 111.592 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.6 -45.84 91.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.252 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -66.47 -29.26 69.34 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.67 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.0 tm? -72.64 -47.43 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.562 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.81 -50.69 65.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.811 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -65.72 -21.22 66.51 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.784 -174.351 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -76.3 -50.64 13.82 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.584 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 47' ' ' ILE . 21.0 ptt180 -67.31 -32.41 73.36 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.606 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 65.4 t80 -52.37 -42.29 63.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 110.471 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.642 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -67.56 -39.06 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.672 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.054 0.454 . . . . 0.0 110.214 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.917 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -29.65 68.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.244 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 98.5 mt -84.15 8.65 14.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 176.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 66.2 mmtt 68.32 6.54 5.38 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.478 0.711 . . . . 0.0 110.978 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.97 80.3 5.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 p90 -72.1 -11.84 60.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.75 -49.26 78.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.013 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.544 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 88.2 t80 -64.38 -32.77 74.52 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.358 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.3 mm -62.2 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.04 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 44' ' ' PHE . 95.5 t -54.85 -45.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.336 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 31' ' ' LEU . 20.6 p -83.1 10.03 9.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.938 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -98.55 147.91 24.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.7 t70 -50.21 134.6 23.44 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 123.854 0.721 . . . . 0.0 110.473 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.71 -27.29 33.19 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.15 -43.0 18.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 122' ' ' SER . 32.9 mmt180 -78.56 -19.41 52.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.02 -26.81 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.747 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.99 -23.84 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.688 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.22 -12.48 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.241 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -76.89 158.58 30.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.188 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -156.07 141.07 17.29 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.31 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -53.46 -44.71 69.15 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.756 -175.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.26 -55.18 36.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.417 0.627 . . . . 0.0 110.966 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.95 -43.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.145 -170.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -63.6 -39.29 94.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.487 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 10.6 tpt180 -62.5 -55.74 24.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.42 -46.48 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.815 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.76 -51.51 68.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.482 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.547 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -71.15 -18.25 62.51 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.741 0.305 . . . . 0.0 111.124 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.2 mm-40 -76.77 -55.28 5.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -82.56 -27.22 31.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.638 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.9 m -105.22 93.35 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 0.0 110.362 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.99 121.14 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.48 114.64 14.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.877 0.37 . . . . 0.0 111.261 -175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.8 -54.78 3.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.3 tt0 -148.08 149.08 31.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.313 -167.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 77' ' ' ARG . 3.3 tm? -127.18 137.0 52.84 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' N ' HD13 ' A' ' 76' ' ' LEU . 38.2 ttm180 -142.44 109.07 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 110.685 -176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.2 t -80.34 126.67 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.093 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.8 mt -96.65 -48.1 5.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.142 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.79 138.86 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.093 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -123.9 141.08 52.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -148.03 145.77 28.61 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.303 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -130.01 135.68 48.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.256 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -128.94 65.14 1.45 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.46 -104.07 1.3 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.947 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 m -96.81 5.48 50.5 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 111.281 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 113' ' ' ARG . 19.4 tpt180 -136.41 139.11 42.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.93 175.72 27.11 Favored Glycine 0 CA--C 1.508 -0.349 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.265 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.6 m -151.45 142.94 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.52 126.54 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.12 0.486 . . . . 0.0 109.913 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.88 132.81 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -155.96 179.0 9.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.379 0.609 . . . . 0.0 111.499 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.93 117.34 47.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.892 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.87 109.6 22.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 78.3 ttt180 -95.24 122.2 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.965 0.412 . . . . 0.0 110.227 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -143.42 169.78 17.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.155 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 54.1 ttp180 -89.76 122.01 32.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 3.5 tpm_? -82.15 79.72 8.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.249 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.03 -150.05 38.61 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.424 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.16 93.8 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.205 -0.522 . . . . 0.0 113.011 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.49 -80.93 0.35 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.292 -0.48 . . . . 0.0 113.573 173.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -69.18 155.68 67.14 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.173 2.582 . . . . 0.0 113.489 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 65.3 mt-10 -98.01 171.55 8.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 174.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -161.41 146.45 13.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.242 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 p -129.2 111.84 13.32 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -85.65 107.49 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.359 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -91.43 101.11 13.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.54 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.23 166.09 15.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 111.096 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -132.89 101.26 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.432 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 73.6 m -107.64 141.27 39.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.242 0.544 . . . . 0.0 112.016 -171.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -97.94 143.25 28.72 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.251 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -127.24 140.85 51.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.485 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HB2' HH11 ' A' ' 87' ' ' ARG . 22.2 ttp180 -109.52 138.94 45.14 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' A' ' 117' ' ' GLY . 78.5 tttt -95.71 122.87 38.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.262 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.07 132.55 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.845 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 62.51 17.12 9.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.219 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 91.71 -14.79 63.17 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.224 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.52 148.34 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -98.3 136.77 38.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -125.42 136.0 52.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.169 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -62.79 112.54 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.207 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 56.3 m -95.4 -31.8 13.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.794 -173.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 178.6 159.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -151.05 146.69 15.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.85 164.37 36.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.72 115.51 19.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 p -57.96 108.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.257 0.551 . . . . 0.0 111.121 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.628 179.807 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.746 0.307 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -82.53 -166.63 1.34 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -131.05 137.43 49.15 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.681 -177.3 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.77 -14.85 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.853 0.461 . . . . 0.0 111.926 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 34.4 m -64.87 173.17 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.734 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.53 54.21 2.84 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -160.88 114.68 2.05 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.7 -9.7 59.49 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.974 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 22.0 mtmt -59.78 159.55 8.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -67.63 172.56 5.04 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.052 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -51.36 -55.7 17.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.247 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.4 -54.03 19.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.756 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.13 0.491 . . . . 0.0 110.971 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 t -93.2 -75.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.093 176.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 m -74.63 -26.57 59.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.23 15.23 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.637 0.615 . . . . 0.0 114.637 -168.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 58.0 Cg_endo -72.29 -25.28 18.78 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 122.021 1.814 . . . . 0.0 112.683 -178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.8 mm? -75.57 -50.73 14.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.14 -30.8 69.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' HD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 60.08 20.27 9.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.285 -176.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -84.55 -16.01 43.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 77.3 ttt180 -134.21 130.22 36.88 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 p -85.54 120.57 27.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.385 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.38 66.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.678 0.275 . . . . 0.0 111.154 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.84 15.72 8.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.942 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 40.3 t -146.95 137.52 12.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.14 -46.38 12.99 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.557 2.172 . . . . 0.0 111.818 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.0 pt-20 -62.57 -46.44 88.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -62.25 -40.49 96.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.3 tm? -70.6 -41.13 72.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 15.8 tmm? -62.57 -51.05 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.794 -175.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -74.83 -20.89 59.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.835 -175.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HG ' HH11 ' A' ' 33' ' ' ARG . 56.5 m -72.59 -46.81 52.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.293 173.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 32' ' ' MET . 1.7 ptm180 -69.15 -34.7 75.41 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 34.0 t80 -51.38 -42.07 61.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 110.592 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.599 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -58.82 -33.44 70.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.792 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -58.87 -37.63 76.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 8.3 m-85 -63.69 -44.51 93.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 110.419 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.4 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 89.8 mt -99.22 15.64 25.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.682 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.1 OUTLIER 51.33 14.96 0.26 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.397 178.549 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 24.7 t70 -102.78 92.27 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.45 -13.63 61.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.219 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.9 -51.98 66.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.545 0.212 . . . . 0.0 111.011 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.446 ' HD1' ' HD2' ' A' ' 21' ' ' ARG . 32.3 t80 -61.56 -32.59 72.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 110.478 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 35' ' ' ARG . 44.7 mm -61.13 -56.14 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' PHE . 54.9 t -51.31 -45.65 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.611 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.85 -28.36 69.97 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.104 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.469 ' HB ' HD11 ' A' ' 31' ' ' LEU . 30.1 p -101.05 22.67 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.362 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.3 m -103.61 148.75 25.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.724 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.49 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 10.0 t70 -49.19 135.12 15.92 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.09 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.72 -33.77 71.46 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.47 2.114 . . . . 0.0 112.124 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.8 -12.88 55.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.536 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 36.5 mmt180 -101.03 -31.69 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.014 0.435 . . . . 0.0 110.413 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.733 -173.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 -30.7 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -84.06 -23.53 30.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.86 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' HD2' HD22 ' A' ' 64' ' ' ASN . 2.9 m-85 -62.26 126.3 26.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.32 145.14 40.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.108 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -61.78 -49.8 74.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.07 -42.21 99.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.504 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.65 -43.11 98.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.513 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.585 HD22 ' HD2' ' A' ' 59' ' ' PHE . 4.3 m-20 -62.91 -40.77 98.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.408 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.3 ttp180 -64.42 -48.43 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.109 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.92 -35.67 46.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.327 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.455 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 2.1 t-105 -59.65 -53.41 58.31 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.682 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.5 ptt? -71.75 -21.87 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 38.2 mt-10 -74.24 -35.69 63.85 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.465 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' TRP . 16.2 pt-20 -85.19 -7.88 58.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.865 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 p -158.42 107.05 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 111.327 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.99 109.58 14.56 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.8 m-85 -74.99 116.47 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.943 0.401 . . . . 0.0 111.913 -174.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -90.06 -56.43 3.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.746 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 38.5 tt0 -141.89 147.23 36.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.422 -167.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.64 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.1 tm? -117.89 142.36 47.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.906 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.481 ' N ' HD13 ' A' ' 76' ' ' LEU . 34.8 ttm180 -140.83 102.11 4.21 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.235 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.25 129.34 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 93' ' ' ILE . 78.0 mt -99.55 -50.17 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.605 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.45 161.35 29.14 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p -153.19 117.48 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.985 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.589 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 23.8 m -103.92 134.42 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.227 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.23 114.88 19.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 70.9 mmtt -117.26 51.08 1.04 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.257 0.551 . . . . 0.0 109.965 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.53 -97.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.876 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 18.0 p -92.2 -1.32 57.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.491 -175.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.0 tmm_? -144.11 142.24 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.581 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -153.77 -178.09 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.4 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -152.57 148.83 27.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -139.78 125.84 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.081 0.467 . . . . 0.0 109.852 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.87 132.52 50.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.085 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.0 177.31 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 79' ' ' LEU . 78.8 mt -123.16 115.95 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.567 175.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.42 116.38 28.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.008 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 55.0 ttt180 -94.99 116.79 29.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -136.61 175.71 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.319 0.581 . . . . 0.0 111.66 -177.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 47.9 ttt180 -114.38 107.51 15.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.2 ptt85 -80.13 149.5 30.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.821 0.343 . . . . 0.0 110.775 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.26 -89.28 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -172.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.03 19.47 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.29 -79.57 0.13 Allowed Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.542 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.65 137.47 20.35 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.505 2.137 . . . . 0.0 112.799 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.8 mt-10 -76.73 155.48 33.2 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.807 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -161.22 146.41 13.91 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 p -106.35 150.76 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.846 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.64 104.82 7.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.071 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.463 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.9 t-160 -93.0 105.35 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.976 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 6.0 pt-20 -129.18 -177.62 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 111.445 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -134.35 107.14 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.821 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 m -98.98 126.9 44.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 111.408 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.96 143.12 27.28 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.953 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -134.39 142.19 47.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.736 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 ttm-85 -104.64 148.93 26.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 78.8 tttt -105.29 122.77 46.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.861 0.362 . . . . 0.0 110.682 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.43 139.73 27.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 63.78 10.43 5.14 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.364 0.265 . . . . 0.0 111.157 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.59 67.07 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -90.44 158.2 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -109.05 141.87 40.57 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.55 134.57 47.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.601 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.97 116.12 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.207 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 51.1 m -91.26 -50.14 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.622 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.44 150.8 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.11 156.56 25.64 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.4 pt-20 -163.65 146.84 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 110.833 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.84 107.71 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.139 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.484 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 11.8 p -76.5 146.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.554 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.106 -179.026 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.19 -179.47 1.27 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.684 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 2.5 t -131.13 132.18 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.558 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.514 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.1 m -63.65 80.78 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 122.095 0.95 . . . . 0.0 110.032 173.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m -165.73 144.39 6.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.594 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.83 74.23 0.25 Allowed Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 p -174.23 134.56 0.43 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.04 57.14 3.97 Favored Glycine 0 C--N 1.329 0.151 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -124.4 156.64 36.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.702 0.401 . . . . 0.0 110.94 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.2 p -79.58 169.66 17.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.135 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 t80 -57.61 -54.12 50.4 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.768 0.318 . . . . 0.0 110.266 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.94 -53.52 20.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.97 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -53.52 -31.77 47.6 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.425 0.631 . . . . 0.0 110.663 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.7 t -94.04 -80.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.517 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.1 m -73.79 -21.47 60.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.64 -55.75 23.66 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 120.848 -0.691 . . . . 0.0 114.376 -170.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 56.5 Cg_endo -71.75 -25.31 20.53 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.151 1.901 . . . . 0.0 112.565 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.7 mm? -75.51 -51.5 12.81 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.84 -11.16 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.286 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 62.08 14.63 6.69 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.999 0.428 . . . . 0.0 110.886 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -99.28 -33.28 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.109 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 39.6 ttm180 -115.1 132.78 56.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.922 0.391 . . . . 0.0 111.245 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -83.75 132.96 34.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.325 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -59.68 -28.15 67.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.65 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 60.29 14.48 4.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.883 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 139.56 6.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.75 -53.44 4.49 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.937 2.424 . . . . 0.0 112.887 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 4.8 pt-20 -60.7 -40.12 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.181 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -60.65 -41.35 94.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 110.855 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.16 -41.48 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.747 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' NH2' ' A' ' 35' ' ' ARG . 12.9 tpt -65.58 -50.11 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.373 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -70.22 -21.83 62.97 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.499 -176.332 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -71.65 -41.48 68.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 33.9 mtm180 -63.08 -39.03 93.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.5 -46.74 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.6 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.626 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -62.71 -34.85 78.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.27 96.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.32 -37.55 85.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.184 177.474 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.35 66.96 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.508 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.26 16.89 22.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.229 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 45.36 21.62 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.257 1.023 . . . . 0.0 112.522 -175.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 61.39 5.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.199 175.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.4 p90 -63.18 -16.12 59.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.151 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.27 -39.92 61.05 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.87 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 59.5 t80 -70.73 -32.39 69.56 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.705 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.452 HG13 ' CD1' ' A' ' 39' ' ' TYR . 38.0 mm -63.17 -48.66 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.504 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.35 -34.28 69.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.181 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -62.56 -25.01 67.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.574 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -109.43 23.05 15.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 111.22 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 m -99.06 150.82 21.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.335 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 11.8 t70 -52.93 136.96 46.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.278 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.48 -33.35 46.89 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.934 2.423 . . . . 0.0 112.419 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.01 -47.16 16.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.748 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 13.5 mmt180 -70.77 -25.91 63.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.852 -175.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -59.34 -26.8 65.35 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.84 -32.36 70.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.143 0.496 . . . . 0.0 110.238 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.4 -20.86 43.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.798 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.97 120.81 17.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.022 0.439 . . . . 0.0 111.452 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -120.23 140.19 51.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.825 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.92 -42.01 95.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.729 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.62 -37.94 85.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.737 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.47 -46.22 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.5 -40.83 79.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 78.8 ttt180 -63.35 -46.14 87.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.481 177.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.66 -175.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 15.6 t90 -66.51 -43.02 86.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.5 ptt? -70.81 -19.54 62.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.328 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 32.8 mm-40 -78.41 -42.51 29.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.593 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 10.2 pt-20 -82.27 -8.3 59.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.227 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -143.83 107.06 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 111.74 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.08 109.87 19.14 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.4 m-85 -71.52 116.75 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.842 0.354 . . . . 0.0 111.656 -174.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.18 -50.27 6.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.012 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -157.85 150.19 22.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.0 tp -104.36 145.91 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.834 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.475 ' HD2' HD12 ' A' ' 93' ' ' ILE . 55.0 ttm-85 -130.85 99.05 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.89 128.14 39.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.53 -59.3 1.74 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -136.91 153.52 21.78 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.262 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 p -156.82 138.93 14.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.2 m -150.39 125.32 9.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 33.7 tt0 -98.12 117.4 32.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 170.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -112.56 83.72 1.86 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.182 0.515 . . . . 0.0 110.043 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.91 -91.95 0.61 Allowed Glycine 0 CA--C 1.518 0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.498 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -127.69 11.69 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.274 0.559 . . . . 0.0 110.703 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 2.1 tmt_? -139.31 133.64 31.47 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.1 171.81 23.2 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.77 -175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.1 m -149.06 144.39 26.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.01 127.06 23.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.165 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.3 139.5 39.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.4 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -156.67 -177.85 6.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.003 0.43 . . . . 0.0 111.049 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.475 HD12 ' HD2' ' A' ' 77' ' ' ARG . 90.0 mt -134.62 117.14 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.183 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.71 114.56 27.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.434 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -95.25 114.65 26.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.3 p90 -138.83 159.52 41.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.444 -177.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 50.0 ttp180 -90.32 120.03 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 98' ' ' ARG . 45.6 ttt-85 -70.12 138.22 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.66 83.74 0.01 OUTLIER Glycine 0 C--N 1.334 0.463 0 O-C-N 123.602 0.564 . . . . 0.0 112.431 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' ARG . . . 165.65 -27.58 0.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 -177.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . 147.14 -61.27 0.46 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.521 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 37.0 Cg_endo -63.38 135.88 52.27 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.725 2.283 . . . . 0.0 113.381 -173.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 36.6 mt-10 -77.44 121.61 24.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.773 173.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -110.59 141.59 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.951 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.3 p -118.81 111.86 18.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -100.33 128.27 46.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -104.94 103.82 13.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.41 174.08 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.374 0.607 . . . . 0.0 111.245 -177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -136.61 118.46 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.272 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.5 m -105.21 128.95 53.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.3 mp0 -95.62 141.14 29.48 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.703 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 75.9 m-85 -129.29 146.6 51.16 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -176.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -103.57 136.34 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.625 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -99.95 114.56 27.9 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.927 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.9 20.92 11.18 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.385 0.612 . . . . 0.0 109.794 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.24 51.76 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.27 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -88.62 144.1 26.51 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 79.0 m95 -92.76 128.6 38.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.688 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -122.12 144.14 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.024 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.84 124.73 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.4 m -98.21 -63.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.405 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.43 151.6 29.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.859 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.01 140.84 7.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.153 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -160.93 174.15 14.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.72 136.73 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.102 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.6 p -95.04 146.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.332 . . . . 0.0 110.841 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.398 179.541 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.641 0.258 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.3 m -79.67 34.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -158.71 159.63 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.89 79.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.603 0 O-C-N 123.767 0.667 . . . . 0.0 113.892 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' CYS . 20.0 m -161.86 120.51 2.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.52 58.0 1.62 Allowed Glycine 0 C--N 1.334 0.424 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.6 mmmt -143.31 172.03 13.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.404 0.681 . . . . 0.0 109.591 -169.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.6 p -78.47 -177.05 5.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 174.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.88 -55.98 12.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.61 -56.62 19.1 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.549 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.06 -23.46 65.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.859 0.361 . . . . 0.0 111.569 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 14.3 t -98.91 -84.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.872 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 55.2 m -73.67 -21.1 60.37 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -55.11 -55.22 29.29 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.696 -0.502 . . . . 0.0 114.15 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.611 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 20.2 Cg_endo -61.46 -30.04 86.09 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.463 2.109 . . . . 0.0 112.591 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.3 mm? -74.76 -51.33 14.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.119 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 38' ' ' ALA . 19.9 mt -67.3 -22.06 65.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.23 -6.14 54.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.751 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 59.19 21.81 9.94 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -101.81 -30.3 11.36 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.611 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 75.5 ttt180 -127.27 140.42 52.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.724 0.297 . . . . 0.0 110.989 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -82.81 140.69 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.313 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.05 74.69 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.633 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.57 14.78 7.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.056 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 t -160.3 141.95 9.3 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.36 -48.31 11.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.681 2.254 . . . . 0.0 111.764 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.505 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.8 pt-20 -63.97 -42.81 97.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.229 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.5 -34.71 72.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -75.09 -42.96 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.765 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -61.59 -52.33 64.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.97 -173.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -72.86 -21.85 60.87 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.96 -173.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 63.2 m -74.32 -39.24 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG3' HD13 ' A' ' 31' ' ' LEU . 12.5 mtm180 -65.54 -41.3 93.2 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.058 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 46.8 t80 -51.73 -41.93 61.9 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.775 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.52 88.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.587 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.1 -34.5 77.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.72 -45.54 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.314 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.57 65.14 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.856 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.74 16.34 23.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.595 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HB3' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.06 23.82 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.525 1.13 . . . . 0.0 113.475 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.27 67.03 10.01 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.6 p90 -70.91 -15.59 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.79 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 34.3 t70 -59.92 -49.13 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 63.4 t80 -57.43 -42.0 81.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.563 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 38' ' ' ALA . 40.2 mm -55.0 -58.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.858 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' PHE . 64.3 t -53.1 -46.42 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.179 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 49.2 mt-10 -57.78 -40.68 80.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.433 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -94.5 22.02 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.189 0.519 . . . . 0.0 111.429 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' ARG . 61.8 m -100.19 151.06 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.865 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.48 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 14.4 t70 -47.18 138.97 7.64 Favored Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.874 0.734 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.14 -36.88 47.13 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.881 2.387 . . . . 0.0 112.277 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.29 -45.92 44.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.8 mmt180 -74.82 -25.11 58.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.321 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 56' ' ' ARG . 34.3 ttp180 -62.38 -30.64 71.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.652 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.81 -23.02 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.659 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.53 -14.38 43.19 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.314 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -79.33 152.4 30.48 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.45 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -140.6 142.96 35.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -52.25 -50.68 61.57 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.342 0.401 . . . . 0.0 111.81 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.24 -39.37 65.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.16 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 67' ' ' TRP . 93.2 m-20 -62.5 -35.86 80.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.329 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 38.3 ttm-85 -73.37 -35.29 65.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.514 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.07 -41.25 34.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.343 -173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 64' ' ' ASN . 4.9 m-90 -60.68 -49.07 79.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 42' ' ' LYS . 22.8 ptm -68.55 -27.0 65.69 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.987 0.422 . . . . 0.0 110.689 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 14.1 mm-40 -64.67 -31.64 72.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.173 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 13.4 pt-20 -110.71 -19.82 12.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.8 m -123.69 101.08 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.7 t70 -75.4 110.9 10.15 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.698 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -72.97 114.41 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.701 0.286 . . . . 0.0 111.464 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.62 -61.15 1.66 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -148.11 148.68 30.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.069 0.461 . . . . 0.0 111.121 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -114.48 131.37 56.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -132.5 105.54 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -76.55 140.47 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 91' ' ' GLU . 52.8 mt -102.06 -46.84 4.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.151 0.5 . . . . 0.0 110.199 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.98 162.73 32.83 Favored Glycine 0 CA--C 1.517 0.185 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.397 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 90' ' ' VAL . 41.3 t -163.81 148.97 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.03 0.415 . . . . 0.0 110.562 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -153.89 130.46 10.67 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 34.3 tt0 -96.86 128.15 43.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -125.16 78.18 1.69 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.204 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.02 -79.21 0.1 Allowed Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.344 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 11.0 p -124.74 -4.04 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.34 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -120.78 133.33 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.78 156.57 18.82 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.207 -0.521 . . . . 0.0 111.888 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.3 m -147.22 132.85 18.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 81' ' ' SER . 5.2 p -139.71 125.51 21.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.221 0.534 . . . . 0.0 111.378 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 79' ' ' LEU . 9.7 tp10 -92.44 132.3 36.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -151.61 170.4 19.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.66 0.743 . . . . 0.0 112.608 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.464 HG12 ' HB2' ' A' ' 107' ' ' HIS . 57.2 mt -132.82 119.65 38.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.21 173.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.54 114.38 28.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -95.0 118.3 31.58 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.135 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -139.03 151.73 47.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.59 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 9.3 ttp180 -89.38 107.29 18.98 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 102' ' ' PRO . 46.9 ttt85 . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.959 -174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 48.8 Cg_endo . . . . . 0 CA--C 1.533 0.441 0 N-CA-C 113.82 0.662 . . . . 0.0 113.82 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 34.0 mt-10 -97.57 113.53 25.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.358 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -105.57 149.0 26.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.9 p -125.23 118.8 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.121 0.486 . . . . 0.0 110.589 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -90.67 105.17 17.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.646 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 93' ' ' ILE . 13.9 t-160 -97.97 119.09 35.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 24.4 pt-20 -162.45 172.23 15.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.091 0.472 . . . . 0.0 111.254 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 109' ' ' ARG . 34.3 ttp180 -119.29 117.99 30.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.035 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.437 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 68.1 m -103.91 134.74 46.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.397 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.54 142.07 27.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.415 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.24 144.33 50.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.047 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -108.0 133.98 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 73.0 tttt -96.43 122.11 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 120' ' ' TYR . . . -131.06 122.47 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 116' ' ' ARG . 4.3 mmp_? 56.9 28.38 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.39 45.51 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.087 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 151.57 21.28 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.423 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 75.2 m95 -98.65 135.61 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.436 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 91.2 m-85 -127.32 136.19 51.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -70.5 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.9 m -89.65 -52.69 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.87 165.13 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.633 0.254 . . . . 0.0 110.905 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -155.81 137.16 5.41 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.5 pt-20 -155.05 176.26 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -177.041 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 7.3 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.583 0.23 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.87 -23.05 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 111.127 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -96.72 157.05 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.76 81.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.585 0 O-C-N 123.792 0.683 . . . . 0.0 113.157 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' CYS . 25.2 m -163.81 115.4 1.38 Allowed 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.91 43.93 1.75 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.426 -0.416 . . . . 0.0 112.743 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 17.0 mtmt -136.4 167.74 20.77 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.9 p -68.37 169.67 10.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.464 0.173 . . . . 0.0 110.96 -176.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -52.92 -57.38 10.48 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.1 -49.46 74.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.904 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.927 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 6.3 t -101.9 -80.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.835 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 m -73.58 -21.54 60.31 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.96 -55.34 18.84 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.047 -0.597 . . . . 0.0 114.255 -171.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HB2' ' CB ' ' A' ' 23' ' ' ARG . 52.5 Cg_endo -69.94 -25.83 27.34 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.09 1.86 . . . . 0.0 112.748 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.453 HD21 HH11 ' A' ' 23' ' ' ARG . 4.0 mm? -75.01 -45.16 43.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.988 0.423 . . . . 0.0 110.401 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 41' ' ' LEU . 2.4 mt -69.88 -22.02 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.985 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.24 -8.63 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.608 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 46' ' ' TYR . 1.7 mpp_? 61.97 17.67 9.19 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -92.15 -33.25 14.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.751 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.453 HH11 HD21 ' A' ' 18' ' ' LEU . 65.0 ttt-85 -105.89 130.82 53.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.577 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.2 p -84.88 125.14 32.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 30' ' ' ALA . . . -60.89 -24.5 66.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.55 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 68.36 -2.29 1.62 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -154.06 149.69 21.18 Favored Pre-proline 0 C--O 1.235 0.331 0 C-N-CA 121.955 0.102 . . . . 0.0 110.729 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' HB2' ' A' ' 112' ' ' PHE . 20.1 Cg_endo -59.08 -47.89 16.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 123.091 2.527 . . . . 0.0 112.569 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.8 pt-20 -60.01 -44.6 94.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.975 0.417 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HA ' HH11 ' A' ' 33' ' ' ARG . . . -62.79 -44.35 96.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.513 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.2 tm? -66.31 -35.24 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -62.02 -51.73 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.567 -177.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.96 -29.21 65.15 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.137 -173.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -70.38 -42.86 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -62.58 -51.22 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.718 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.46 -40.6 59.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.245 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.04 -37.82 69.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -66.37 -26.01 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -62.76 -37.94 88.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.069 0.461 . . . . 0.0 110.058 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.83 -18.48 50.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.017 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 19' ' ' LEU . 64.9 mt -105.25 20.04 19.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.776 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.55 23.08 0.07 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.431 1.092 . . . . 0.0 113.1 -178.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.0 t0 -95.74 70.03 2.96 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -68.6 -19.73 64.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.646 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.68 -39.91 80.36 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 54.1 t80 -55.79 -36.31 67.27 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 38' ' ' ALA . 23.1 mm -57.99 -56.3 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.191 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.504 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 16.6 t -57.69 -35.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.9 -48.01 83.45 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.413 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 p -89.24 22.15 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.716 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -99.65 152.63 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.523 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 14.7 t70 -50.27 137.02 22.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 173.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.44 -33.39 92.04 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.89 2.394 . . . . 0.0 112.421 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -82.37 -43.06 17.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.292 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 122' ' ' SER . 31.2 mmt180 -67.96 -28.58 67.57 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 19.0 ttp180 -61.6 -17.45 55.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.9 -25.55 68.2 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.61 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.62 -15.42 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.822 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.79 94.32 9.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.85 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB2' HG23 ' A' ' 63' ' ' VAL . 12.1 m-20 -91.82 142.82 27.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -53.39 -41.35 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.87 -51.58 68.71 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.74 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 60' ' ' ASP . 94.3 t -58.1 -45.59 88.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.335 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.379 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 42.3 ttm105 -71.37 -39.64 71.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.979 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.97 -27.08 17.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.771 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -61.05 -55.89 27.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.898 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.36 -24.15 62.92 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.859 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.2 mm-40 -66.39 -39.53 89.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.45 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.73 -29.74 12.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.595 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -134.59 115.91 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.991 0.424 . . . . 0.0 111.419 -176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.58 116.01 19.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.324 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -71.5 114.08 9.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 110.748 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.83 -59.57 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.802 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 31.3 tt0 -138.11 149.36 45.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.262 -169.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 tp -115.53 129.66 56.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.821 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 79.3 ttt180 -119.11 98.73 6.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.23 113.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.5 mt -83.46 -51.5 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.5 159.49 30.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.02 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -134.29 159.61 40.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.4 m -154.01 139.97 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.988 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.28 122.98 15.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.797 0.332 . . . . 0.0 110.257 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -113.88 49.88 0.96 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.268 0.556 . . . . 0.0 109.763 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.26 -82.89 0.54 Allowed Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.759 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 p -86.97 -29.79 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.714 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.6 tmm_? -124.14 136.09 53.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.514 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -141.73 171.58 24.36 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -154.66 148.14 25.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.73 132.47 48.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -100.65 132.97 45.77 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.629 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -151.23 -178.25 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.136 0.493 . . . . 0.0 111.17 -175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.1 mt -134.49 116.92 22.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.795 174.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 116.71 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.5 ttm-85 -95.96 117.61 30.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.763 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -137.13 147.64 46.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.88 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 52.4 ttp180 -89.99 106.92 18.8 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.423 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.532 0.385 0 N-CA-C 113.711 0.62 . . . . 0.0 113.711 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.0 mt-10 -84.51 154.99 22.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -151.94 149.63 29.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.5 p -134.38 144.92 48.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.608 0.242 . . . . 0.0 110.389 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -126.02 140.75 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -111.16 106.31 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -179.75 5.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 111.789 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.623 ' HE ' ' NE2' ' A' ' 111' ' ' GLN . 43.0 ttp180 -136.59 109.04 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.751 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.6 p -104.3 123.88 48.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.644 0.259 . . . . 0.0 110.972 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.623 ' NE2' ' HE ' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -90.11 148.95 22.69 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 175.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 76.1 m-85 -130.1 147.54 51.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.415 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 56.6 ttt180 -120.97 131.76 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.756 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -94.99 129.86 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.954 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.85 133.03 20.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.962 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 61.73 25.72 15.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.84 -3.2 87.43 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.502 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 41.5 mtt180 -122.26 138.47 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -173.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -88.0 144.36 26.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.837 -174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.25 142.63 47.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.87 122.49 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.62 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 16.5 m -90.85 -52.87 4.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -173.51 157.92 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 110.897 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.54 134.03 6.06 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.182 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -145.03 156.02 43.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 120.644 0.259 . . . . 0.0 110.606 179.662 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.235 0.064 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.1 m -68.98 78.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 122.185 0.993 . . . . 0.0 109.994 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 76.2 m -165.85 146.0 6.54 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.758 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.21 73.2 0.09 OUTLIER Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.8 p -170.88 129.6 0.78 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.01 58.63 3.93 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 3.4 mmpt? -134.01 158.63 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 44.4 p -78.61 178.64 7.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.255 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -58.92 -53.42 58.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.81 -56.37 16.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.42 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.59 -26.46 61.53 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.521 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 10' ' ' THR . 7.8 t -101.5 -82.97 0.46 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.3 m -74.98 -21.75 58.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.47 -55.66 15.92 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -169.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 46.2 Cg_endo -68.48 -26.43 34.34 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.185 1.923 . . . . 0.0 112.255 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 4.0 mm? -75.24 -47.15 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.919 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.31 -34.57 77.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.243 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.51 65.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.698 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 65.45 16.95 10.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.683 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -90.81 -23.23 20.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.588 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 49.2 ttt180 -128.76 140.23 51.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -83.07 141.63 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.97 70.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.637 0.256 . . . . 0.0 111.603 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.69 8.29 5.1 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.483 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -161.19 145.31 10.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.26 -52.26 6.89 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.829 2.353 . . . . 0.0 112.734 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -67.15 -33.1 74.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.669 0.271 . . . . 0.0 110.972 -178.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -62.49 -29.37 70.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -81.47 -42.69 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.14 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.522 ' HE3' HG22 ' A' ' 78' ' ' VAL . 20.5 ptt? -69.04 -31.97 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.573 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -76.84 -26.15 54.0 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.826 -177.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.45 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 32.4 p -77.39 -46.25 23.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -55.41 -50.14 70.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.105 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -52.41 -45.89 66.09 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.62 -32.03 72.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.225 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.0 -38.2 87.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.775 0.321 . . . . 0.0 110.649 177.271 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.52 62.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.514 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 92.2 mt -97.69 19.75 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.575 176.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 42.99 28.63 0.14 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.886 1.274 . . . . 0.0 113.541 177.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -103.16 85.92 2.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.448 0.642 . . . . 0.0 109.283 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 24.5 p90 -71.08 -11.63 61.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.195 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.23 -48.8 66.74 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.043 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.502 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 77.4 t80 -58.09 -34.02 69.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 39' ' ' TYR . 34.9 mm -54.55 -52.46 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.207 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.45 -42.15 86.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -77.87 -3.18 40.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.429 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 p -114.81 12.53 16.99 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.162 0.506 . . . . 0.0 110.656 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 55' ' ' ARG . 35.2 m -90.65 152.08 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.415 173.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -51.32 137.5 29.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.36 -30.81 27.95 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -82.41 -46.97 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.073 0.464 . . . . 0.0 110.504 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 122' ' ' SER . 28.0 mmt180 -68.84 -24.52 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.928 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.97 -25.23 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.46 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.36 -27.06 68.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.551 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -86.09 -11.77 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HD2' HD21 ' A' ' 64' ' ' ASN . 4.2 m-85 -89.74 170.74 10.17 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.288 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.527 ' HB3' HG23 ' A' ' 63' ' ' VAL . 31.6 t70 -169.65 147.53 3.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.074 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.16 -41.1 74.89 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.24 -49.44 71.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.621 0.724 . . . . 0.0 110.395 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 60' ' ' ASP . 6.6 t -64.36 -44.72 97.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.74 -174.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.546 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 3.6 m-20 -61.6 -36.48 80.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.513 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.6 ttt180 -62.49 -49.34 75.76 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.85 36.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.146 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -63.15 -51.13 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.537 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 21.0 ptt? -66.45 -22.36 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.967 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 26.0 mm-40 -76.29 -39.14 55.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -86.83 -27.45 23.5 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.722 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 m -106.12 120.8 42.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 111.757 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 37.5 t70 -93.88 100.67 12.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.0 119.46 18.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -172.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -87.0 -64.98 1.06 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.793 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -156.06 150.77 26.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.8 tp -98.49 132.57 43.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.519 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.58 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 75.7 ttt180 -111.67 102.38 10.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 32' ' ' MET . 96.7 t -87.08 117.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.3 mt -89.75 -56.15 3.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.836 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.61 158.88 27.37 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.267 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.4 p -142.48 159.72 41.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 111.183 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -149.38 123.47 9.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.326 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' CZ2' ' A' ' 119' ' ' TRP . 41.0 tt0 -86.15 121.42 28.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -110.53 54.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.03 -104.86 1.03 Allowed Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.644 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.0 m -86.23 -0.36 55.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.045 0.45 . . . . 0.0 111.058 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -134.66 166.36 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.79 164.8 33.83 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.859 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -146.2 139.06 25.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.53 135.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HG2' HD12 ' A' ' 79' ' ' LEU . 31.7 tt0 -107.0 132.11 53.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.93 175.02 12.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.285 0.564 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.2 mt -132.81 115.4 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.408 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.34 111.81 22.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -95.4 117.24 30.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -139.97 171.75 13.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.6 ttp180 -120.06 121.89 39.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.055 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -176.652 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.078 0.366 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 44.5 mt-10 -87.29 171.05 10.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.027 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -161.84 148.67 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.572 170.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 15.7 p -127.68 111.73 14.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -88.76 107.64 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -93.89 101.08 13.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.088 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.15 158.02 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.413 0.625 . . . . 0.0 111.535 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -111.77 105.13 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.402 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 t -100.83 136.93 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 111.331 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.39 139.23 36.36 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.769 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -124.54 142.42 51.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.305 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -109.64 138.02 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.984 0.421 . . . . 0.0 110.346 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -88.77 104.81 17.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.291 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -114.09 120.35 40.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.438 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 61.51 23.85 14.05 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.4 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.01 66.29 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.181 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.513 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.8 mpt_? -98.23 149.03 23.01 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.41 ' CZ2' ' HG3' ' A' ' 83' ' ' GLU . 94.9 m95 -89.33 137.6 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 97.6 m-85 -134.93 141.68 46.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.226 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -67.05 114.31 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 36.8 m -91.49 -54.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.803 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.84 172.66 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.842 0.353 . . . . 0.0 110.781 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.25 151.79 16.48 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -158.93 152.34 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.858 0.329 . . . . 0.0 110.563 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.328 177.064 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.546 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.6 m -69.66 76.53 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 122.146 0.974 . . . . 0.0 109.943 173.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 72.1 m -168.11 164.46 13.48 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.371 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.39 55.21 1.97 Allowed Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 166.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -154.91 118.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.26 -17.0 67.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.271 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.9 mtpt -59.92 161.09 6.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 111.215 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.609 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.8 p -74.57 177.31 6.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.019 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -54.7 -53.35 56.06 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -56.36 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.337 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.99 -18.86 65.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.643 -174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.0 t -105.27 -76.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 111.424 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 50.4 m -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -53.65 -55.34 25.73 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 121.125 -0.559 . . . . 0.0 114.139 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 23.8 Cg_endo -62.93 -30.4 76.91 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.137 1.892 . . . . 0.0 112.377 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.12 -52.13 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.78 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 15' ' ' CYS . 32.8 mt -69.52 -21.28 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.103 -177.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -82.53 -10.81 58.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.028 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.7 9.91 3.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.929 0.491 . . . . 0.0 111.49 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -79.99 -16.75 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.9 ttm-85 -151.2 141.14 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.674 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -97.66 153.34 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.984 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.47 8.12 2.7 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.116 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -150.4 137.86 11.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.73 -44.01 34.29 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.652 2.235 . . . . 0.0 112.047 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 12.4 pt-20 -66.15 -43.69 86.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -67.06 -27.11 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.514 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.453 HD11 ' HD2' ' A' ' 35' ' ' ARG . 2.9 tm? -80.93 -41.12 23.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.885 -178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.708 -178.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.596 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.79 -23.18 49.23 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 -178.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 p -77.56 -44.05 29.79 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD2' HD11 ' A' ' 31' ' ' LEU . 41.1 mtp180 -62.12 -38.76 90.13 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.503 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -50.93 -48.16 60.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.245 0.545 . . . . 0.0 110.254 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -67.47 -39.23 85.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.961 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.9 81.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.169 0.509 . . . . 0.0 110.451 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.78 -37.45 79.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.803 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.84 -22.55 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.834 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.9 mt -94.79 20.07 9.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.924 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.446 ' O ' ' HE1' ' A' ' 68' ' ' MET . 0.0 OUTLIER 47.99 23.93 0.56 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.494 1.118 . . . . 0.0 112.9 178.08 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -101.38 78.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 39.3 p90 -68.26 -19.32 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.406 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 28.2 t70 -59.83 -45.63 91.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.05 -35.46 80.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.672 0.272 . . . . 0.0 110.375 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 39' ' ' TYR . 47.3 mm -56.29 -47.83 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.834 HG12 ' HE ' ' A' ' 56' ' ' ARG . 38.4 t -67.2 -36.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.389 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 48.1 mt-10 -61.85 -38.85 89.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.024 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -95.25 18.11 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.624 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -90.86 152.68 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 12.7 t70 -52.07 133.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 123.275 0.36 . . . . 0.0 110.376 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -41.34 -32.53 1.26 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.995 3.13 . . . . 0.0 112.532 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.01 -44.51 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.418 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' NH1' ' HB3' ' A' ' 123' ' ' GLU . 16.1 mmt85 -68.69 -23.61 64.41 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.942 0.401 . . . . 0.0 110.501 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HE ' HG12 ' A' ' 48' ' ' VAL . 39.7 ttt180 -62.29 -28.85 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.964 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.91 -25.86 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -77.25 -18.08 57.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -78.43 165.46 23.77 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -147.65 136.29 21.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.557 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -58.17 -46.55 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.885 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.34 -51.84 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.688 0.28 . . . . 0.0 110.831 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.03 -40.43 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 44' ' ' PHE . 3.2 t-20 -62.86 -48.18 80.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.17 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.644 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 19.2 ttp180 -60.16 -48.63 80.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -37.94 20.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.412 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -67.06 -51.79 50.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.067 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.2 ptt? -66.13 -20.0 66.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.573 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 15.7 mm-40 -68.98 -32.19 71.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.302 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -108.01 10.68 28.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 68' ' ' MET . 47.0 t -121.41 84.13 2.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.145 0.497 . . . . 0.0 110.638 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 17.8 t0 -77.06 106.49 8.79 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.65 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -77.87 126.9 31.54 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 111.693 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -106.48 -53.95 2.55 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.732 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -145.23 154.13 42.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.024 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -123.52 146.54 48.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 74.1 ttt180 -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.41 126.11 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.051 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 91' ' ' GLU . 78.1 mt -101.91 -53.04 3.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 110.934 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.16 159.8 29.34 Favored Glycine 0 C--O 1.23 -0.156 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 p -153.59 139.33 17.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.723 0.261 . . . . 0.0 110.46 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 m -148.79 129.72 14.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -101.39 117.72 35.52 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -112.82 73.21 0.8 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.81 -113.62 4.66 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.561 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 p -94.83 6.07 50.05 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.956 0.408 . . . . 0.0 111.398 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.58 140.57 31.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.29 174.4 21.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.074 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 HE21 ' A' ' 111' ' ' GLN . 83.2 m -152.62 145.45 24.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 32' ' ' MET . 6.3 p -141.99 134.11 27.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.11 0.481 . . . . 0.0 110.848 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HG3' HD12 ' A' ' 79' ' ' LEU . 6.8 tp10 -100.65 125.6 47.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.929 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -146.97 172.55 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.122 0.487 . . . . 0.0 111.507 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 92.4 mt -133.86 108.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.493 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.98 113.21 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 103' ' ' GLU . 35.3 ttt85 -94.7 117.93 30.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -131.61 -174.84 3.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.76 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 16.5 ttp180 -123.77 119.53 30.01 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 C--O 1.235 0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.955 -173.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 C--O 1.238 0.496 0 N-CA-C 113.525 0.548 . . . . 0.0 113.525 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 35.6 mt-10 -75.05 166.49 23.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.34 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -157.39 145.87 19.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.614 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -102.17 148.63 25.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 4.6 t-80 -121.66 104.18 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -121.79 114.75 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 1.5 pm0 -160.17 159.78 32.08 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.724 0.773 . . . . 0.0 112.152 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HG2' ' CG2' ' A' ' 89' ' ' THR . 28.5 ttp-105 -93.76 110.71 22.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.47 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 p -98.53 134.2 41.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.44 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.422 HE21 HG23 ' A' ' 89' ' ' THR . 2.2 mp0 -97.74 136.54 37.93 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.314 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -130.49 142.07 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.455 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 72.4 ttt180 -105.68 142.51 35.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.185 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -104.05 106.66 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.061 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -112.4 119.27 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.2 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 7.5 mpt_? 59.09 24.41 12.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.203 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.26 -12.81 69.02 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 113.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.6 mpt_? -93.22 147.16 23.14 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -99.19 135.29 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.16 148.44 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.745 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -72.16 123.8 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.856 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 m -101.38 -57.25 2.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.475 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 9.5 pt-20 -165.46 -176.86 4.17 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.11 169.74 42.8 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -144.47 138.88 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.702 0.251 . . . . 0.0 110.328 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HA ' ' HB3' ' A' ' 108' ' ' GLU . . . . . . . . 0 C--O 1.237 0.406 0 O-C-N 123.402 0.439 . . . . 0.0 110.385 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 3.3 t . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 m -72.6 65.89 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 0.0 110.596 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 8.5 m -161.4 140.53 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.033 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.1 95.51 0.07 OUTLIER Glycine 0 C--N 1.332 0.335 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 p -171.64 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.715 0.293 . . . . 0.0 110.772 -174.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.41 8.97 87.4 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.34 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 25.6 mtmt -104.27 163.32 12.5 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 78.0 p -67.53 172.99 4.46 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.373 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 51.5 t80 -60.91 -56.76 17.35 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.34 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -64.49 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.974 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.41 -56.86 11.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 109.946 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -73.66 -72.29 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.888 -176.155 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 52.3 m -73.63 -28.43 61.79 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.6 -55.19 14.36 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 114.689 0.636 . . . . 0.0 114.689 -169.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 -25.71 27.39 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.145 1.897 . . . . 0.0 112.666 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' OG ' ' A' ' 34' ' ' SER . 4.6 mm? -75.2 -51.66 12.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.473 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 46' ' ' TYR . 47.0 mt -63.39 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.645 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.45 -7.58 48.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 64.71 12.86 7.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.177 0.591 . . . . 0.0 111.642 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HB3' ' A' ' 20' ' ' ALA . 6.2 t -90.75 -27.39 18.96 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.954 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -109.47 133.53 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 110.997 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.1 p -90.92 124.77 35.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.153 172.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.76 53.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.85 12.01 2.82 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.961 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -158.13 131.18 4.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.95 -42.3 68.23 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.876 2.384 . . . . 0.0 111.958 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 7.3 pt-20 -61.43 -45.67 93.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.397 178.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -66.2 -34.29 77.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 tm? -64.18 -47.68 78.89 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 68.4 mmm -62.21 -47.88 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 176.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -57.4 -34.39 68.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.346 -178.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.486 ' OG ' ' HG ' ' A' ' 18' ' ' LEU . 28.1 m -78.12 -51.53 10.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.651 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' ILE . 14.6 ptt180 -72.56 -31.07 64.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.658 -172.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -53.81 -38.04 64.16 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.488 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -64.03 -38.98 93.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.238 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 47' ' ' ILE . 2.4 m-30 -62.26 -47.37 84.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.013 0.435 . . . . 0.0 110.089 174.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.88 -25.6 65.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.281 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.9 mt -105.54 19.46 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.53 31.25 0.59 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.48 1.112 . . . . 0.0 113.745 176.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.57 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 29.6 t70 -102.43 79.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.9 p90 -71.31 -10.89 60.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.53 -55.52 21.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.944 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.491 ' CG ' HD23 ' A' ' 19' ' ' LEU . 69.9 t80 -60.23 -32.27 70.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 35' ' ' ARG . 45.0 mm -61.76 -47.52 92.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.388 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 22.0 t -63.75 -35.13 71.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.768 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -77.22 -5.53 49.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.2 p -115.78 17.8 15.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.0 m -99.01 152.85 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.76 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.06 138.41 46.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.67 -28.06 44.91 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.88 2.387 . . . . 0.0 112.448 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.66 -52.24 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -65.01 -17.58 64.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.167 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' HG12 ' A' ' 48' ' ' VAL . 21.9 ttp180 -62.72 -25.18 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.919 0.39 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.93 -29.95 70.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.28 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.6 mt -79.55 -8.27 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.66 124.52 34.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.49 147.9 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.78 -42.85 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.224 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.97 -55.11 24.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.435 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -36.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.998 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.47 -46.59 87.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.156 0.503 . . . . 0.0 109.874 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 25.9 ttp-105 -67.47 -32.97 74.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.42 -33.06 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.184 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -65.91 -47.03 76.12 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.7 ptm -69.57 -24.21 63.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.295 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.9 mm-40 -77.08 -37.9 53.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.61 -25.33 33.3 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.118 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.1 m -147.51 138.05 23.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.379 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.28 103.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 98.8 m-85 -63.59 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 -177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.42 -53.66 2.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.62 -171.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.53 146.06 32.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 -169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -118.3 148.65 42.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -142.17 109.5 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.077 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -84.17 122.62 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.8 mt -92.53 -51.36 5.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.204 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.85 161.0 28.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.957 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 p -159.15 145.46 16.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -148.15 130.52 15.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.243 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -106.45 114.98 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -110.18 68.55 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.657 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.74 -105.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.599 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.0 m -92.9 -9.52 39.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -108.55 151.75 25.68 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.86 157.96 28.19 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -150.46 142.54 24.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.34 131.72 30.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.45 132.5 49.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -149.33 179.66 7.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.201 0.524 . . . . 0.0 111.694 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 106' ' ' HIS . 41.5 mt -134.96 119.88 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.197 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.09 115.43 30.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -95.05 136.13 35.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -151.28 163.6 38.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.868 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 38.0 ttp180 -89.87 111.71 22.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.474 -172.254 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 C--O 1.236 0.387 0 CA-C-O 121.254 0.439 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 42.7 mt-10 -87.01 164.72 16.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.922 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -158.49 148.22 19.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.8 p -128.76 124.32 35.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.811 0.339 . . . . 0.0 110.737 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 5.5 m-70 -84.46 144.97 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -126.92 99.87 5.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.39 -177.26 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.748 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -139.95 119.27 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.2 t -104.8 134.94 47.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.451 . . . . 0.0 110.914 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.68 140.77 31.58 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 90.7 m-85 -128.51 154.22 46.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 -176.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -112.44 136.05 52.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.577 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 66.4 tttt -95.38 106.04 18.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.85 124.8 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.28 21.17 12.32 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.369 0.604 . . . . 0.0 109.734 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.03 -13.87 65.86 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.998 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -96.07 149.35 21.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 89.0 m95 -93.38 130.31 39.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.677 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 91.4 m-85 -127.33 133.25 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.559 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -57.91 123.92 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.1 m -102.17 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.106 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.4 -175.58 5.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.0 151.64 5.83 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.27 178.89 9.79 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.27 177.523 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.548 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 17.4 m -71.58 69.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 122.095 0.95 . . . . 0.0 109.993 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.791 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 35.0 m -166.4 119.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.072 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 76' ' ' LEU . . . -60.45 81.47 0.02 OUTLIER Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.877 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.421 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 13.4 m -148.86 -31.78 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.494 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 38.35 14.74 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.027 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.8 mmmt -124.93 152.07 44.59 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.8 p -69.54 174.53 4.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.354 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -61.31 -49.31 77.52 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.04 -57.51 8.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.474 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.62 -24.29 67.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.581 -174.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 29.6 t -95.82 -87.97 0.28 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.399 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 68.0 m -75.04 -21.26 59.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -174.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.12 13.74 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 34.5 Cg_endo -68.12 -26.31 36.73 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.831 1.687 . . . . 0.0 112.488 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.95 -51.88 11.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 mt -72.22 -21.28 61.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.85 -5.56 48.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.453 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? 57.18 21.45 6.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -97.42 -19.17 18.63 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 35.2 ttm180 -139.44 140.51 37.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.716 0.293 . . . . 0.0 111.048 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.5 p -90.98 131.38 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -54.8 -32.36 60.15 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.37 10.94 4.22 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.816 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 42.3 t -149.19 134.01 9.25 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.21 -49.17 14.79 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.839 2.359 . . . . 0.0 112.357 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 15.0 pt-20 -69.09 -42.42 76.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.801 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -61.59 -34.29 75.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 110.472 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.81 -43.91 43.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.232 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 32' ' ' MET . 14.8 tmm? -61.94 -50.36 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.808 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.35 -22.77 63.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.657 -175.374 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -77.47 -36.04 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 109.817 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttt-85 -66.35 -41.45 89.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.119 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -53.99 -45.42 71.44 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.726 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.791 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.96 -34.4 76.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.306 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.36 -31.72 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.732 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 6.1 m-85 -67.66 -44.37 78.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.9 0.381 . . . . 0.0 110.515 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.27 75.03 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.382 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 88.3 mt -90.05 14.18 12.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.382 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.525 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 40.69 34.64 0.26 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.55 1.14 . . . . 0.0 113.346 178.092 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -102.92 74.77 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 170.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 49.1 p90 -71.76 -10.99 60.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.36 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.09 -50.52 73.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.18 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -55.55 -34.35 64.66 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.48 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.1 mm -62.61 -54.08 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.391 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.1 -45.28 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.734 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.36 -38.61 77.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 p -90.11 19.77 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.546 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -101.54 147.71 26.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.742 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -50.63 137.42 24.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.636 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.85 -40.39 48.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.982 2.454 . . . . 0.0 112.668 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.5 -37.08 44.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.162 -177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 11.1 mmt85 -79.05 -24.1 43.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 110.024 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -66.12 -25.06 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.068 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.49 -30.11 69.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.154 0.502 . . . . 0.0 110.315 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.41 -23.13 58.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.01 98.5 2.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.22 150.03 23.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.664 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -58.65 -52.6 65.01 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.24 -45.34 85.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.81 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.651 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.3 t30 -65.05 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 68' ' ' MET . 17.2 ttt180 -73.52 -39.53 64.72 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.452 174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.12 -41.4 35.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.036 -174.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.64 -49.11 78.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.628 ' HB3' ' HD2' ' A' ' 39' ' ' TYR . 27.4 ptt? -71.32 -19.52 62.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 19.6 mm-40 -75.27 -42.68 54.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -84.72 -20.66 30.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 m -114.72 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 30.1 t70 -77.44 89.96 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.474 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.6 m-85 -58.62 128.93 39.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.172 0.51 . . . . 0.0 111.948 -172.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 mt -111.66 -50.34 2.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -161.29 151.22 17.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' HB3' ' H ' ' A' ' 6' ' ' GLY . 57.9 tp -107.42 140.6 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.071 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -128.87 99.72 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -81.47 121.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.332 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.6 mt -85.76 -49.6 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.964 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.33 168.8 41.44 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.44 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' VAL . 79.5 p -157.56 152.88 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.724 0.297 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 m -146.33 135.14 22.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.147 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.97 115.18 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.23 81.66 1.54 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.17 -111.41 4.08 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.359 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -98.49 -0.64 43.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 110.664 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -104.93 132.58 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.95 144.48 16.44 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.792 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -137.45 134.79 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.585 0.193 . . . . 0.0 110.558 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.5 p -139.05 121.85 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.225 0.535 . . . . 0.0 110.288 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.538 ' HG2' HD12 ' A' ' 79' ' ' LEU . 39.7 tt0 -102.05 134.32 45.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.805 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -155.28 -179.23 7.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.852 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.7 mt -133.5 118.06 29.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.706 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.2 111.34 22.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.848 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -95.03 119.78 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.6 p90 -144.23 155.23 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 110.918 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 17.3 ttp180 -90.12 126.76 35.91 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 27.2 tpt180 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 89.2 Cg_endo . . . . . 0 C--O 1.234 0.281 0 N-CA-C 113.164 0.409 . . . . 0.0 113.164 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.81 105.86 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.274 0.559 . . . . 0.0 109.523 174.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.0 155.04 22.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.843 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 114.79 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 111.06 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.74 130.44 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.617 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -113.86 118.84 35.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.86 169.08 17.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.564 0.697 . . . . 0.0 111.564 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 125' ' ' GLU . 50.4 ttp180 -126.95 103.76 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.347 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 m -92.72 125.06 37.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.948 0.404 . . . . 0.0 110.899 -174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.611 ' N ' HE21 ' A' ' 111' ' ' GLN . 0.0 OUTLIER -104.23 132.78 50.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.809 175.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -113.87 139.28 49.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.861 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 52' ' ' ASP . 34.8 ttp180 -103.9 127.71 51.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -80.42 106.1 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.86 126.55 55.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.156 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 61.1 23.45 13.64 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -10.06 74.25 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.4 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 1.5 mpt_? -105.5 152.99 22.34 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -90.23 136.04 33.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.452 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 87.4 m-85 -128.57 131.15 48.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.462 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.66 118.4 6.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.812 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 m -104.0 -47.72 4.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.911 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.81 132.8 15.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 111.365 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.41 81.75 0.34 Allowed Glycine 0 C--N 1.332 0.346 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 109' ' ' ARG . 16.4 pt-20 -80.42 134.8 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.735 0.302 . . . . 0.0 111.078 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 178.279 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.5 t . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.5 m -66.31 77.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.001 0.905 . . . . 0.0 110.246 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 59.8 m -164.41 138.83 5.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.03 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.16 86.26 0.01 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 171.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -175.65 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.156 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.31 -10.49 73.02 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.734 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 25.3 mtmt -70.94 171.21 11.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.351 0.12 . . . . 0.0 110.745 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 52.9 p -73.22 172.28 11.42 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.702 0.287 . . . . 0.0 110.984 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.18 -53.97 52.09 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.75 -56.59 17.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.68 -32.29 65.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.384 0.611 . . . . 0.0 110.832 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.6 t -97.84 -79.96 0.46 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.856 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 57.2 m -74.09 -23.5 59.34 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.59 14.21 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 114.553 0.581 . . . . 0.0 114.553 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 42.3 Cg_endo -70.79 -26.6 22.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.04 1.827 . . . . 0.0 112.724 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 25' ' ' ALA . 3.6 mm? -75.97 -47.15 26.16 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.465 -177.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 46' ' ' TYR . 15.6 mt -62.15 -31.25 71.71 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.07 -16.78 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.614 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? 63.94 13.39 7.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.38 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -68.06 -31.49 71.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.121 0.486 . . . . 0.0 110.391 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 64.4 ttt180 -121.37 131.28 54.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 m -86.17 118.83 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.989 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.01 -38.52 57.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.569 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.28 12.8 5.45 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.948 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -145.78 131.27 9.29 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.83 -52.82 7.59 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.974 2.45 . . . . 0.0 112.541 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 4.5 pt-20 -66.93 -37.84 85.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.983 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.63 -40.12 86.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.22 0.533 . . . . 0.0 110.714 -178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.88 -44.88 46.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.758 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -61.78 -49.27 77.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.991 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.17 -27.05 66.08 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.789 -176.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -76.94 -34.26 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 175.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -64.93 -45.77 84.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.82 -44.04 66.38 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.789 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -55.58 -35.08 65.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.043 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -61.2 -36.46 79.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.49 -41.68 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.74 65.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.977 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -96.74 20.17 11.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.97 21.98 0.35 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.467 1.107 . . . . 0.0 113.388 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 15.7 m-20 -96.24 57.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HZ ' HH21 ' A' ' 65' ' ' ARG . 46.8 p90 -69.22 -14.03 62.73 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.697 -172.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.98 -36.05 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.23 0.538 . . . . 0.0 109.919 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CG ' HD23 ' A' ' 19' ' ' LEU . 60.8 t80 -64.13 -32.42 73.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.745 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.5 mm -56.68 -43.04 78.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.944 177.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.81 -44.09 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.818 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.51 -27.64 57.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.584 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 p -104.62 22.74 14.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.668 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 34.4 m -99.73 150.02 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 7.1 t70 -49.25 131.7 17.0 Favored Pre-proline 0 N--CA 1.466 0.327 0 O-C-N 123.43 0.456 . . . . 0.0 110.199 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.46 -19.39 17.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.425 2.083 . . . . 0.0 111.917 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.31 -32.58 14.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 122' ' ' SER . 14.1 mmt85 -92.46 -15.53 27.0 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.723 0.297 . . . . 0.0 111.161 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 9.4 ttp180 -63.78 -21.18 66.29 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.93 0.395 . . . . 0.0 111.256 -172.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.25 -29.41 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.49 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.1 mp -83.29 -1.74 53.96 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.211 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -95.4 128.26 42.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -122.7 145.24 48.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.873 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.01 -48.21 82.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.047 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.49 -46.3 90.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.377 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.85 -51.47 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -58.96 -39.29 81.24 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.202 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 15.0 ttm180 -61.08 -47.72 85.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -51.04 -42.45 60.5 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -59.88 -48.87 79.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.238 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 ptm -71.87 -19.71 61.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.11 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.1 mm-40 -78.52 -42.9 28.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.628 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.0 pt-20 -78.97 -23.85 44.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 110.978 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -134.5 108.5 8.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -78.95 114.92 18.29 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.62 116.26 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.53 -44.54 6.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 35.1 tt0 -142.72 142.26 31.94 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.534 -170.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.8 tp -111.37 134.49 52.91 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -125.65 98.71 5.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.0 118.59 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.0 mt -89.28 -50.64 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.05 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.39 159.42 32.72 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 p -141.21 156.81 45.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.774 0.287 . . . . 0.0 110.725 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -152.98 119.67 5.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.418 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 31.8 tt0 -102.45 116.0 31.72 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -114.81 82.06 1.67 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.224 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.02 -75.86 0.59 Allowed Glycine 0 CA--C 1.521 0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.813 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.3 m -137.09 -17.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -95.83 133.05 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.72 164.36 25.74 Favored Glycine 0 CA--C 1.506 -0.517 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.375 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.432 HG23 HE21 ' A' ' 111' ' ' GLN . 90.2 m -151.03 140.48 21.49 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.5 124.48 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.516 ' HG2' HD12 ' A' ' 79' ' ' LEU . 35.2 tt0 -97.48 133.87 41.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.494 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -148.99 169.26 21.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.344 0.592 . . . . 0.0 111.231 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -124.52 115.42 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.926 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.0 117.82 30.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.09 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 6.1 ttm180 -94.76 126.22 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -141.15 152.91 45.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -89.33 112.44 23.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.068 -175.361 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 C--O 1.237 0.459 0 CA-C-O 121.228 0.428 . . . . 0.0 113.15 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -94.24 111.63 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.397 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -101.36 147.09 26.73 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -115.81 143.91 44.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.98 0.419 . . . . 0.0 111.248 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -119.4 106.31 12.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.711 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.53 104.92 17.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 125' ' ' GLU . 27.4 tt0 -131.94 145.95 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 0.0 111.274 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 37.2 ttp180 -114.79 101.65 9.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.738 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -95.84 140.11 31.09 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.432 HE21 HG23 ' A' ' 89' ' ' THR . 2.3 mp0 -95.23 140.43 30.15 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.748 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.404 ' HB3' ' HE3' ' A' ' 119' ' ' TRP . 49.2 m-85 -126.91 157.54 39.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.948 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -120.6 134.74 55.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.103 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -92.89 106.54 18.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.244 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 127.13 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.22 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 61.04 20.52 10.95 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.36 0.6 . . . . 0.0 110.522 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.21 64.73 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.766 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.473 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 2.5 mpt_? -89.98 157.33 17.88 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.453 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 72.8 m95 -104.83 127.7 52.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.04 0.448 . . . . 0.0 110.576 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 99.0 m-85 -121.43 140.42 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.022 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 34.3 t80 -66.02 121.41 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.082 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 31.0 m -97.18 -50.6 4.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -166.1 171.63 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.18 170.23 39.34 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 12.9 pt-20 -172.81 153.75 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.252 0.221 . . . . 0.0 110.473 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.128 177.337 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.0 t . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.551 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.6 m -61.01 81.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 122.06 0.933 . . . . 0.0 110.075 173.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.777 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 75.1 m -167.43 168.4 13.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.878 -175.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.77 3.26 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -158.89 116.26 2.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.42 -2.66 43.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.004 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -71.41 166.85 20.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.829 0.347 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 72.1 p -71.82 -179.65 2.77 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 68.1 t80 -59.77 -50.92 71.94 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.793 172.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.24 -57.01 10.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.205 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.43 -33.09 67.55 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.24 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.48 -77.63 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.828 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.5 m -73.94 -21.77 59.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.84 -54.68 17.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.666 -0.519 . . . . 0.0 114.333 -170.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 37.7 Cg_endo -67.8 -28.83 36.17 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.7 mm? -75.47 -51.16 13.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.863 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 15' ' ' CYS . 11.8 mt -69.24 -21.56 63.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.84 -10.88 60.41 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.658 175.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 65.6 8.97 5.51 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.125 0.57 . . . . 0.0 111.403 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.3 t -93.48 -41.46 9.77 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 73.1 ttt180 -106.24 143.13 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.276 -175.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 p -90.4 134.66 34.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.236 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 111.035 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.66 5.36 3.84 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.096 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -151.75 138.53 11.98 Favored Pre-proline 0 C--O 1.235 0.316 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.99 -43.79 40.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.558 2.172 . . . . 0.0 111.697 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.1 pt-20 -67.69 -38.67 84.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.465 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -64.71 -26.96 68.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.015 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.09 -50.5 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.357 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.613 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -61.43 -38.82 88.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -170.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.613 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -75.45 -26.28 58.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.779 -176.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -76.25 -39.98 53.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -59.48 -44.48 93.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.832 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -54.2 -46.35 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.139 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.02 -41.21 91.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.92 71.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.42 -35.04 58.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.797 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.98 17.79 3.93 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.443 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.87 24.21 0.1 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.77 1.228 . . . . 0.0 113.608 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.03 68.96 10.19 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 172.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 39.9 p90 -64.6 -12.58 46.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.528 ' O ' HG12 ' A' ' 48' ' ' VAL . 28.5 t70 -69.1 -45.89 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.77 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.11 -32.31 72.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.344 0.592 . . . . 0.0 109.637 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 ' CD1' ' A' ' 39' ' ' TYR . 40.0 mm -63.46 -53.63 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.618 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 45' ' ' ASP . 12.9 p -61.18 -34.62 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 110.28 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -64.05 -38.93 92.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.642 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -91.66 18.91 6.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.4 m -99.27 152.39 19.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.0 t70 -49.56 135.4 18.42 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 122.929 0.491 . . . . 0.0 110.28 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.74 -31.38 41.28 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.764 2.309 . . . . 0.0 112.143 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.72 -41.04 31.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.058 0.456 . . . . 0.0 110.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 122' ' ' SER . 34.3 mmt180 -76.42 -25.3 54.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.925 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.516 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.7 ttp180 -60.53 -22.0 63.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.46 -177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.56 -43.31 94.34 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.359 174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 58' ' ' LEU . 3.3 mp -88.05 -16.71 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.94 77.45 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.076 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.625 ' HB2' HG23 ' A' ' 63' ' ' VAL . 11.5 m-20 -71.38 139.56 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.514 ' NE2' HG11 ' A' ' 48' ' ' VAL . 76.4 m80 -53.65 -39.48 65.06 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.46 172.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.86 -49.79 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.276 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' A' ' 60' ' ' ASP . 61.4 t -61.07 -37.79 78.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.049 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.9 -45.23 90.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.256 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 15.4 ttm180 -58.98 -55.78 30.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.94 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.72 53.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 63.8 t-105 -68.37 -48.14 65.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.973 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.9 ptt? -64.86 -23.95 67.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.379 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.7 mt-10 -75.31 -44.38 45.75 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.251 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 12.1 pt-20 -80.57 5.46 15.32 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.731 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.6 p -158.07 110.14 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -84.43 102.3 12.68 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.4 m-85 -64.19 120.93 13.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.284 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -104.41 -55.07 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.042 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.0 tt0 -147.21 134.34 20.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -102.82 140.32 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -135.69 103.65 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 109.948 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.92 136.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.991 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.3 mt -111.91 -52.35 2.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.589 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.0 160.3 28.99 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 90' ' ' VAL . 26.3 p -163.95 143.2 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.76 0.28 . . . . 0.0 110.957 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 m -150.76 131.67 14.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.573 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -95.99 114.72 26.46 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.64 58.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.519 . . . . 0.0 109.665 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.6 -99.93 0.63 Allowed Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.46 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 m -91.4 -16.92 26.63 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.791 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.24 148.42 26.99 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.73 151.3 22.65 Favored Glycine 0 CA--C 1.507 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.761 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.9 m -140.89 128.35 21.26 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.7 p -138.24 125.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.18 132.63 52.83 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -153.6 -178.23 6.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.973 -175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.86 118.09 50.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.874 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 109.3 20.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.781 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.569 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 64.5 ttt180 -95.19 113.89 25.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -137.44 162.29 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.608 -178.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 74.0 ttt180 -89.95 121.45 32.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.525 -174.513 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo . . . . . 0 C--O 1.238 0.487 0 N-CA-C 113.88 0.685 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.3 mt-10 -74.07 160.85 30.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.053 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -147.59 139.78 24.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -110.82 112.37 24.18 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -103.11 132.81 49.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -126.18 115.36 19.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.687 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.17 171.71 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.439 0.638 . . . . 0.0 111.512 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 109' ' ' ARG . 33.8 ttp180 -127.79 101.46 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.178 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 42.9 m -97.46 128.7 44.45 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.093 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -91.35 143.99 26.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.747 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -129.69 156.68 43.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.291 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 113' ' ' ARG . 32.4 ttt85 -118.98 137.56 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.057 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 72.9 tttt -102.79 118.67 37.35 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.09 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.95 127.31 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.853 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 64.29 15.38 9.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.66 71.57 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.353 -0.451 . . . . 0.0 112.133 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.3 mpt_? -93.94 138.87 31.59 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 88.6 m95 -94.23 140.28 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.989 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.16 133.07 47.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.976 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.91 116.39 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 47.6 m -91.81 -45.68 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -173.25 167.25 4.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -154.09 112.7 0.54 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.993 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.95 128.98 38.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.904 -179.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 35.8 t . . . . . 0 CA--C 1.518 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.99 38.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.059 0.457 . . . . 0.0 110.912 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.736 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -168.62 105.7 0.44 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.652 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.69 -93.4 0.01 OUTLIER Glycine 0 C--N 1.335 0.478 0 O-C-N 123.682 0.614 . . . . 0.0 114.078 172.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -52.19 126.78 19.85 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.117 0.567 . . . . 0.0 111.805 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.88 10.34 26.33 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.96 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.6 mtmt -75.04 159.82 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 73.9 p -63.63 -178.12 0.27 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.427 0.632 . . . . 0.0 111.966 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.41 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.367 174.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.514 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 5.0 p-10 -72.94 -44.8 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.409 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.26 -34.4 70.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.777 0.322 . . . . 0.0 111.116 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 7.8 t -97.85 -80.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.622 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 m -73.53 -20.7 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -51.66 -55.18 21.47 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 -170.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 26.1 Cg_endo -63.46 -29.39 71.29 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.095 1.863 . . . . 0.0 112.274 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.2 mm? -75.33 -51.31 13.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 46' ' ' TYR . 18.9 mt -62.36 -32.57 73.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.979 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -8.41 57.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 59.43 19.1 7.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -93.86 -11.04 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.141 -174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.537 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 74.2 ttt180 -143.79 144.3 31.74 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.25 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 25.3 p -85.98 137.41 32.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.295 175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.04 68.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.723 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.4 6.58 3.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.285 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.6 m -160.36 143.64 10.1 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 122.454 0.301 . . . . 0.0 110.346 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.94 -51.02 8.7 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.081 2.521 . . . . 0.0 112.636 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.7 pt-20 -60.45 -43.58 96.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.015 0.436 . . . . 0.0 110.653 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -60.75 -35.03 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.74 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -74.28 -51.23 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.525 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 13.0 tpt -60.45 -49.68 76.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.932 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.736 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.454 -175.491 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -72.81 -39.25 66.79 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 21.9 mtm180 -61.85 -43.37 98.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -51.99 -42.01 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 110.833 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.64 87.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.627 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.62 -37.44 87.33 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' HG13 ' A' ' 47' ' ' ILE . 14.3 m-85 -59.42 -47.93 83.57 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.006 0.431 . . . . 0.0 110.134 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.05 66.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.917 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.0 19.3 13.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.417 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.22 12.89 0.15 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.788 1.235 . . . . 0.0 113.634 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 12.4 t70 -95.0 73.06 3.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.342 0.591 . . . . 0.0 109.639 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 44.5 p90 -71.97 -10.7 60.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.201 177.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.83 -53.96 48.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.348 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CG ' HD23 ' A' ' 19' ' ' LEU . 32.0 t80 -56.39 -38.74 71.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.944 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.7 mm -57.95 -52.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.46 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' PHE . 44.3 t -57.47 -38.41 63.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.439 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -68.54 -26.79 65.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.568 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -102.36 22.1 13.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.986 0.422 . . . . 0.0 111.329 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.6 m -99.7 153.83 18.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 172.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD1' ' HD3' ' A' ' 113' ' ' ARG . 26.9 t70 -49.27 137.94 14.97 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.577 175.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.39 -27.22 57.19 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.975 2.45 . . . . 0.0 112.664 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -93.61 -47.24 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 9.0 mmt85 -64.55 -26.77 68.56 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.122 0.487 . . . . 0.0 110.308 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 55.0 ttp180 -60.79 -33.06 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.331 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.91 -23.15 65.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.4 -11.28 43.64 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.317 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 2.3 m-85 -78.31 147.2 34.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.201 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -126.65 146.48 50.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.346 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -64.95 -34.63 78.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 -51.19 68.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.216 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.64 -52.45 60.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 84.4 m-20 -58.34 -37.31 74.91 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.165 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 44.2 ttm-85 -66.5 -50.63 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.275 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.11 -41.62 36.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.634 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.73 -56.9 11.08 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.834 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 ptm -64.08 -27.54 69.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.696 0.284 . . . . 0.0 111.054 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 22.8 mt-10 -81.31 -47.35 13.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.143 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 13.4 pt-20 -89.63 -9.08 50.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.217 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.0 m -136.8 110.08 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.615 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 36.4 t70 -79.59 108.77 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.724 176.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.62 118.4 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.186 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.578 HD21 ' NH2' ' A' ' 97' ' ' ARG . 10.8 mp -92.17 -62.61 1.37 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -154.53 149.57 26.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.84 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -110.66 141.75 43.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.1 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -132.82 98.87 4.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.39 127.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.86 -56.06 3.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.48 171.36 36.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.12 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.4 p -150.23 151.08 32.45 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.9 m -140.56 119.52 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.647 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -110.42 115.33 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.97 50.59 0.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.15 -114.28 4.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 p -80.8 -23.05 39.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 1.5 mmp_? -93.03 133.07 36.54 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.57 5.93 Favored Glycine 0 CA--C 1.509 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.674 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.432 ' CG2' ' HG2' ' A' ' 109' ' ' ARG . 24.6 m -129.25 148.32 51.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.98 136.01 50.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.247 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HB2' ' NH1' ' A' ' 109' ' ' ARG . 36.0 tt0 -107.43 132.27 53.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.73 177.07 9.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 111.484 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 105' ' ' SER . 60.8 mt -133.67 110.78 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.344 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.03 112.03 23.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.94 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -94.46 113.38 25.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.364 . . . . 0.0 110.14 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -134.08 170.66 15.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.925 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.578 ' NH2' HD21 ' A' ' 74' ' ' LEU . 45.2 ttm105 -114.89 110.92 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.416 -174.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo . . . . . 0 C--O 1.236 0.402 0 CA-C-O 121.216 0.423 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 56.6 mt-10 -87.65 144.47 26.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.7 173.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -137.41 145.45 43.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 93' ' ' ILE . 25.2 p -109.58 111.39 22.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.837 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 19.7 t-160 -83.11 103.78 12.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -103.82 104.35 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -136.12 -176.18 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.477 ' NH1' ' HB2' ' A' ' 91' ' ' GLU . 56.3 ttt85 -136.15 101.86 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 25.1 m -92.99 134.03 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -173.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -96.64 143.59 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.525 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 86.7 m-85 -129.29 153.58 47.68 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.668 -176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 59.7 ttt180 -121.3 126.81 50.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.126 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -83.65 105.64 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.55 115.84 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.31 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 56.49 44.38 24.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.348 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.37 -20.11 28.3 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 33.1 mtt180 -107.93 133.66 51.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.573 0.225 . . . . 0.0 110.419 -171.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -81.39 133.42 35.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -132.33 151.86 51.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -68.54 130.28 42.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.03 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -101.31 -56.58 2.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.107 0.48 . . . . 0.0 110.48 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.17 171.68 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.934 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -150.16 126.95 2.28 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -127.4 148.44 50.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.935 176.693 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.834 -0.062 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 4.1 m -56.4 88.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.909 0.861 . . . . 0.0 109.811 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 69.6 m -172.36 167.06 5.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.942 -175.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.37 40.67 1.99 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.4 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -154.18 123.15 6.35 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -174.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.23 -9.44 54.41 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.296 0.372 . . . . 0.0 113.211 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' ' 13' ' ' ASP . 42.4 mtpt -52.45 158.13 1.31 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.012 0.434 . . . . 0.0 111.267 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 25.3 p -72.1 -172.16 0.84 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.03 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.01 -58.15 6.85 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 26.7 t70 -68.0 -48.47 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.116 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.553 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -55.6 -23.45 27.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 111.497 -179.533 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 8.6 t -112.11 -83.26 0.59 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 67.0 m -75.02 -21.51 59.05 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -174.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.14 -55.23 16.26 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 114.475 0.55 . . . . 0.0 114.475 -169.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.596 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -61.5 -32.03 88.07 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.243 1.962 . . . . 0.0 112.492 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 17' ' ' PRO . 2.9 mm? -75.53 -47.06 28.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.51 -23.24 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.75 -7.57 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.093 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 60.79 15.81 6.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 17' ' ' PRO . 14.9 t -86.72 3.39 45.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -175.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 25.2 ttm180 -162.43 134.82 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.058 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 p -84.27 134.19 34.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.21 92.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.83 -0.52 0.98 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.408 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -141.91 134.14 13.69 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.19 -39.11 61.25 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.477 2.118 . . . . 0.0 111.966 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 10.8 pt-20 -66.86 -45.65 77.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.179 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.22 68.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.48 -44.73 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.284 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 23.2 ptt? -65.83 -37.31 85.88 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -22.89 56.67 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.096 -0.641 . . . . 0.0 110.167 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.564 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 22.4 m -71.73 -40.18 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.77 -46.8 88.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.115 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -54.14 -47.56 71.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.639 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.37 -36.41 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.016 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.17 67.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.2 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.09 -47.06 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 177.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -72.45 -13.04 61.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.44 19.66 20.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.52 29.59 0.42 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.469 1.107 . . . . 0.0 113.164 179.465 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -106.07 59.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 32.5 p90 -60.75 -11.29 7.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.275 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -43.44 78.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.23 -32.25 69.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.748 0.309 . . . . 0.0 110.223 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 39' ' ' TYR . 33.7 mm -55.58 -51.81 54.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.82 175.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.89 -39.33 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.33 -28.15 69.1 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.654 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -98.07 13.35 31.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -88.19 152.23 22.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.31 136.21 23.19 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.09 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.65 -24.22 17.05 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.831 2.354 . . . . 0.0 112.407 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -89.71 -45.38 9.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 122' ' ' SER . 26.1 mmt180 -70.02 -22.98 63.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.437 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -62.82 -25.0 68.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.14 -16.34 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.07 6.21 46.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.274 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.42 126.16 52.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.983 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 63' ' ' VAL . 21.2 m-20 -119.62 135.04 54.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.644 174.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 44' ' ' PHE . 48.9 m80 -55.46 -37.02 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.69 -40.81 98.3 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG23 ' HB2' ' A' ' 60' ' ' ASP . 60.9 t -68.25 -45.95 81.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.132 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.17 -35.74 77.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.279 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.651 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.7 ttp180 -61.43 -56.32 21.49 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.18 62.02 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.225 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.91 -52.88 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.762 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 ptm -71.0 -28.65 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.227 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.7 mt-10 -65.23 -37.62 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 110.854 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -96.5 4.73 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -134.98 104.13 5.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.694 0.283 . . . . 0.0 111.612 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 97' ' ' ARG . 13.7 m-20 -76.83 98.23 4.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.97 114.6 5.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 110.409 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.558 ' HB2' ' HD2' ' A' ' 95' ' ' ARG . 88.6 mt -101.96 -49.03 4.06 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.873 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB3' ' HE ' ' A' ' 95' ' ' ARG . 7.6 tp10 -153.4 153.6 32.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.9 134.24 54.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.523 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 41.2 ttm180 -127.19 99.79 5.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.174 0.511 . . . . 0.0 109.677 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' HE3' ' A' ' 32' ' ' MET . 63.5 t -77.02 139.26 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.543 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.64 -67.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.542 0.21 . . . . 0.0 110.853 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.84 165.3 27.68 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.237 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 90' ' ' VAL . 35.8 p -151.71 152.79 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.011 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -152.29 119.93 6.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.409 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.74 115.32 28.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -108.85 53.93 0.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.354 0.597 . . . . 0.0 109.587 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.57 -114.39 3.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.102 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 22.8 p -92.93 1.56 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.184 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.0 tmm_? -132.53 133.49 43.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -140.83 173.58 23.1 Favored Glycine 0 CA--C 1.508 -0.348 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.756 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.423 HG23 HE21 ' A' ' 111' ' ' GLN . 45.5 m -146.41 140.03 26.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 81' ' ' SER . 9.6 p -140.66 135.56 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -110.81 132.46 54.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.725 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.97 176.86 11.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 95.1 mt -129.22 119.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.583 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.3 111.73 23.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.558 ' HD2' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -97.59 109.98 22.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 110.322 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -129.54 162.3 28.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.7 ttm-85 -97.32 119.89 36.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.628 -175.859 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 C--O 1.235 0.356 0 CA-C-O 120.75 0.229 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 53.1 mt-10 -78.94 167.81 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -158.9 142.57 15.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -126.45 113.66 17.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -91.85 104.45 16.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.097 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -84.91 100.84 11.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.1 170.43 11.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 111.278 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -131.48 102.63 6.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.447 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -101.65 135.13 43.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 110.806 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.423 HE21 HG23 ' A' ' 89' ' ' THR . 1.4 mp0 -97.34 138.22 35.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.836 175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -122.76 150.29 42.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -110.92 126.73 55.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.109 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 76.0 tttt -91.42 110.84 22.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.2 118.19 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.205 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER 55.67 33.58 21.57 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.566 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -17.22 58.71 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.444 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.47 145.03 26.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.415 0.608 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 85.8 m95 -96.68 134.65 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.334 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -122.32 140.4 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.013 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.83 116.01 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.244 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.6 m -90.63 -54.48 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.345 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.49 162.91 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.33 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -143.22 162.1 36.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.417 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.182 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 3.0 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.512 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.4 m -58.63 81.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.074 0.94 . . . . 0.0 110.267 173.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 73.8 m -163.74 149.78 11.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 72.09 0.89 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.609 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.1 p -164.9 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.13 -20.28 21.71 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.965 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 26.3 mtmt -59.6 161.01 6.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.605 0.203 . . . . 0.0 110.949 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.5 p -63.73 179.03 0.53 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.908 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -55.68 -58.58 7.23 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.508 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.49 -52.97 26.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -29.6 58.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.238 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 4.3 t -98.84 -80.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.822 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' HD12 ' A' ' 19' ' ' LEU . 53.7 m -74.47 -21.65 59.48 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.79 -55.19 18.81 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 -170.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.8 Cg_endo -68.83 -30.84 26.27 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.086 1.857 . . . . 0.0 112.591 -176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.4 mm? -71.56 -51.88 21.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 15' ' ' CYS . 71.7 mt -67.75 -27.83 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.985 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -4.93 59.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' NH2' ' HG3' ' A' ' 49' ' ' GLU . 11.1 mpt_? 63.14 2.36 1.06 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.995 0.518 . . . . 0.0 112.287 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.7 t -70.5 -16.14 62.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.96 0.41 . . . . 0.0 110.744 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 59.6 ttt180 -153.21 131.16 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.308 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 p -89.23 144.73 25.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.6 70.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.069 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.52 14.39 3.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.781 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 48.1 t -149.41 137.67 11.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.7 -47.81 12.53 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.542 2.161 . . . . 0.0 111.914 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.6 pt-20 -64.51 -44.24 91.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.529 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -63.89 -39.46 94.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.72 -38.87 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.834 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -63.66 -51.57 64.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.679 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.56 -21.49 60.34 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.269 -172.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -76.85 -37.06 56.31 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -67.55 -42.92 81.86 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.108 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -52.14 -40.64 61.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.228 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -64.5 -31.8 73.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.388 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -61.32 -37.52 83.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.448 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.584 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 1.4 m-85 -65.57 -42.03 92.22 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.409 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.75 -26.62 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 98.6 mt -94.68 17.69 12.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.161 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.649 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.3 OUTLIER 53.41 10.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.743 1.217 . . . . 0.0 113.267 177.058 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -95.55 87.69 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.422 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.15 -10.56 59.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 20.2 t70 -58.31 -56.81 17.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.46 -31.47 70.47 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.1 mm -57.92 -50.83 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' PHE . 47.4 t -60.9 -43.98 96.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.2 mm-40 -52.9 -41.8 64.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.035 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -94.37 22.47 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -101.06 146.94 26.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.843 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 15.2 t70 -48.34 140.13 9.99 Favored Pre-proline 0 C--O 1.223 -0.296 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.204 175.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.3 -37.6 94.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.397 2.064 . . . . 0.0 112.028 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.27 -38.71 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.611 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.4 mmt180 -75.99 -29.93 58.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 110.281 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -68.13 -25.19 65.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.692 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.49 -23.45 65.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.492 174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -96.51 -29.2 14.02 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.178 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.85 135.61 56.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 111.791 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.02 147.17 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.799 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -59.74 -48.56 81.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.141 -173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.67 -39.46 73.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.843 -176.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.61 -46.69 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.518 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.38 -38.03 76.45 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.082 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.2 ttt180 -68.21 -45.06 74.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.935 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.3 -38.21 26.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.057 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.584 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 20.7 t-105 -59.51 -51.68 68.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.649 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.1 ptt? -71.23 -20.08 62.3 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.738 0.304 . . . . 0.0 111.388 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mm-40 -76.93 -27.06 54.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.768 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -105.98 -19.77 13.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.6 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -105.81 101.38 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.758 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.5 t70 -81.12 93.37 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -61.33 127.37 31.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.082 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.41 -49.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.005 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 34.8 tt0 -148.44 152.17 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 -172.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -128.14 125.94 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -128.08 99.36 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.227 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.01 128.58 38.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.118 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 91' ' ' GLU . 85.4 mt -95.09 -59.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.45 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.97 160.44 28.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.001 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.5 p -138.07 149.46 46.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.715 0.293 . . . . 0.0 110.53 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.551 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 20.9 m -149.5 118.91 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -110.93 114.5 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 74.0 mmtt -115.15 90.25 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.221 -176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.02 -92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.37 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -122.59 -4.48 8.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -105.21 132.41 51.45 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 174.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.82 159.9 19.44 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.063 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.453 HG23 HE21 ' A' ' 111' ' ' GLN . 87.8 m -157.07 127.84 6.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.95 129.42 60.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.161 0.505 . . . . 0.0 110.035 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 79' ' ' LEU . 40.3 tt0 -100.28 134.39 43.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.774 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.82 171.68 19.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 107' ' ' HIS . 71.8 mt -125.74 114.11 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.131 175.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.11 115.79 28.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.042 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.552 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.3 ttm-85 -94.82 122.78 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.8 161.83 37.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.217 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 69.4 ttt180 -89.84 111.71 22.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 -170.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.774 0.239 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.99 158.61 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -154.81 144.14 21.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.427 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 11.8 p -120.44 111.85 18.24 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -89.84 104.33 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.512 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' HB2' HG12 ' A' ' 93' ' ' ILE . 7.1 t-160 -90.7 109.51 20.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.7 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.92 173.7 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.256 0.551 . . . . 0.0 111.018 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -131.01 103.04 6.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' THR . 22.9 t -93.09 135.14 34.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.663 -170.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.453 HE21 HG23 ' A' ' 89' ' ' THR . 1.7 mp0 -96.92 138.79 33.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.12 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.91 146.43 50.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.144 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -104.3 126.68 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.941 0.497 . . . . 0.0 109.81 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 63.3 tttt -91.86 110.98 22.34 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.25 135.79 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.545 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 63.21 19.74 11.85 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.78 -15.59 62.27 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.912 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -100.14 156.87 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.648 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.497 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 79.0 m95 -97.81 140.85 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.374 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.1 139.75 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.183 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -69.83 113.17 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.887 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.6 m -89.06 -45.94 9.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.168 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -177.98 147.58 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.697 0.284 . . . . 0.0 110.678 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.85 143.74 15.32 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -143.16 144.14 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.08 0.467 . . . . 0.0 110.553 -179.535 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 4.4 t . . . . . 0 C--O 1.231 0.121 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.4 m -68.0 78.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-O 122.208 1.004 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.747 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 71.7 m -161.79 169.64 21.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.941 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.71 48.9 2.7 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 168.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -163.53 103.54 0.94 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.07 -2.17 6.36 Favored Glycine 0 CA--C 1.521 0.427 0 O-C-N 123.305 0.378 . . . . 0.0 113.682 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.0 mtmt -61.96 165.13 5.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 0.0 111.212 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.3 p -68.55 -176.85 0.84 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.307 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.23 -56.33 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 173.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.526 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 6.9 p-10 -67.53 -49.76 61.85 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.257 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.18 -21.45 59.45 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.747 0.308 . . . . 0.0 111.494 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' THR . 3.5 t -111.21 -81.36 0.58 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.73 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -73.82 -21.5 60.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -174.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.68 -55.17 18.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 114.485 0.554 . . . . 0.0 114.485 -169.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 31.0 Cg_endo -65.24 -29.06 55.48 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.329 2.02 . . . . 0.0 112.494 -178.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.522 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.28 -51.45 13.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.06 -22.33 60.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.084 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.01 -11.04 60.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.457 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 64.55 10.23 5.69 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.303 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -89.18 -33.56 16.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.238 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 69.8 ttt180 -121.74 142.84 49.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.079 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -86.88 141.77 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -54.74 -33.84 61.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.006 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.65 11.61 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.254 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 137.87 0.87 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.689 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.06 -49.56 7.85 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.815 2.343 . . . . 0.0 111.893 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.9 pt-20 -59.61 -39.95 85.9 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.192 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -60.82 -40.8 94.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.619 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD11 ' HB ' ' A' ' 50' ' ' THR . 1.6 tm? -66.94 -42.61 84.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.228 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.99 -51.75 59.96 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.4 -22.7 61.83 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.765 -173.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 m -76.47 -39.7 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.76 -43.95 94.07 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.139 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.07 -45.52 92.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.664 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.47 -39.26 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.629 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.66 -35.91 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -61.77 -41.6 97.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 110.201 174.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.51 62.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 88.6 mt -97.06 17.3 17.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.154 176.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.04 19.06 0.25 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.537 1.135 . . . . 0.0 113.282 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -93.36 80.94 4.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.401 0.619 . . . . 0.0 109.911 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.443 ' HE2' ' HB3' ' A' ' 61' ' ' HIS . 46.1 p90 -72.68 -26.11 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.331 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.96 -38.06 82.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.785 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 66.3 t80 -60.71 -36.3 78.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.128 0.49 . . . . 0.0 110.327 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 38' ' ' ALA . 35.8 mm -58.86 -51.95 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.69 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.5 t -53.96 -39.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.733 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.24 -38.29 90.58 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.797 0.332 . . . . 0.0 111.297 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.421 ' HB ' HD11 ' A' ' 31' ' ' LEU . 9.1 p -91.81 18.37 7.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.212 0.529 . . . . 0.0 111.379 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -97.86 150.9 20.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 9.3 t70 -48.33 132.11 13.03 Favored Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.03 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.93 -28.43 23.89 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.868 2.379 . . . . 0.0 112.325 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.66 -38.48 39.33 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 110.593 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 122' ' ' SER . 53.7 mmm-85 -81.84 -26.82 33.94 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -61.76 -35.38 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.862 -173.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.08 -24.74 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.752 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.31 -13.7 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.261 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.53 93.18 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -73.67 114.64 12.17 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.731 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 66.9 m80 -53.93 -38.83 65.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.721 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.47 -55.0 36.9 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.785 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.25 -41.36 91.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -36.83 71.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.949 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 32.4 ttp180 -78.11 -51.62 9.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.223 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.62 60.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.568 -172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -70.72 -41.29 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.091 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.9 ptt? -71.95 -22.92 61.39 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.077 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 42.1 mt-10 -64.73 -48.27 75.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.567 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.09 -15.97 59.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.026 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 m -112.62 92.67 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 111.144 -174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.34 111.53 7.62 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.5 m-85 -77.4 122.12 24.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.461 0.172 . . . . 0.0 110.873 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.44 -56.99 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 33.0 tt0 -126.0 125.3 42.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -100.75 122.63 43.7 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 168.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 21.7 ttm180 -118.18 97.43 5.79 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -82.06 109.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.754 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 mt -73.66 -44.91 55.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.352 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.78 167.42 36.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.22 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -151.4 113.32 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 m -119.72 118.85 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.59 114.52 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -110.05 83.78 1.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.64 -119.78 13.22 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.097 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 m -92.28 -0.37 57.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.8 tmm_? -116.37 131.86 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -127.12 141.94 13.07 Favored Glycine 0 CA--C 1.506 -0.497 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.104 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 m -126.41 128.17 46.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 p -129.89 117.61 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.299 0.571 . . . . 0.0 110.303 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -94.84 125.54 39.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.456 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.88 176.25 9.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.534 . . . . 0.0 111.508 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 88.5 mt -133.63 117.82 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.196 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.98 108.88 20.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 41.5 ttm180 -96.01 123.17 39.5 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -141.89 145.34 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.788 -177.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -90.2 107.7 19.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 98' ' ' ARG . 1.2 ptm180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -168.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo . . . . . 0 C--O 1.237 0.44 0 N-CA-C 113.79 0.65 . . . . 0.0 113.79 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.23 123.2 31.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.523 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.74 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.1 p -122.91 112.41 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 110.637 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -94.82 125.19 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.405 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -114.68 102.46 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.505 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -122.56 169.48 10.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 110.986 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -127.92 101.36 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.1 m -94.2 132.95 38.22 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.349 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -98.87 137.55 37.28 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.977 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.46 138.38 53.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.801 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -103.85 131.08 51.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -89.52 107.06 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.955 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.93 132.92 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 61.19 21.37 11.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.589 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.94 57.85 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.484 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -93.36 152.31 19.22 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -99.64 131.03 45.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.16 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.74 142.51 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.628 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 50.0 t80 -68.46 116.22 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.0 m -93.54 -55.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -153.83 149.86 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.507 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -137.22 86.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.649 -0.581 . . . . 0.0 111.649 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.06 139.07 30.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.537 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 9.9 t . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.677 0.275 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.65 49.38 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.69 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -174.18 159.01 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 78.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 O-C-N 123.395 0.435 . . . . 0.0 113.302 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 m -161.67 119.05 2.21 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.81 50.47 2.97 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.481 -0.39 . . . . 0.0 113.026 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 29.5 mtmt -140.49 173.64 11.3 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 81.9 p -69.67 -176.99 1.13 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.848 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.58 -58.74 4.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.9 -40.42 96.46 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.85 -44.02 91.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.958 0.409 . . . . 0.0 110.684 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 8.5 t -87.43 -82.97 0.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 58.8 m -73.75 -20.12 60.59 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.98 -54.55 22.22 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.386 -0.674 . . . . 0.0 114.214 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -62.47 -30.69 80.3 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.479 2.119 . . . . 0.0 112.606 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.6 -51.26 24.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 110.14 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.81 -21.14 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.86 -3.25 47.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.838 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 59.77 16.37 5.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.819 0.448 . . . . 0.0 111.454 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.8 t -93.23 -27.77 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.579 0.228 . . . . 0.0 111.417 -176.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 61.8 ttt180 -129.42 134.4 47.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.366 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 p -88.85 133.56 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.179 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.81 80.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.78 13.56 2.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.298 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 t -148.09 137.29 11.97 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.59 -49.96 13.23 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.809 2.339 . . . . 0.0 112.204 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 5.6 pt-20 -64.53 -43.23 94.67 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.977 0.417 . . . . 0.0 110.422 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -61.12 -37.23 82.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.781 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 3.2 tm? -75.58 -43.1 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.576 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.485 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.86 -35.19 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.075 -176.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -75.34 -27.12 59.09 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -177.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 20.9 p -77.31 -34.99 55.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 47' ' ' ILE . 19.2 ttt180 -63.63 -43.82 95.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.249 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.88 -45.77 74.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.09 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.48 -36.95 85.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.85 -47.46 85.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -19.08 64.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.56 19.46 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.664 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 48.26 21.35 0.34 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.744 1.217 . . . . 0.0 112.965 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.67 58.57 5.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 109.955 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.613 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 40.4 p90 -65.13 -19.62 66.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.575 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 30.5 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.16 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -56.22 -32.86 64.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' A' ' 38' ' ' ALA . 31.7 mm -63.78 -52.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 60.7 t -56.21 -39.79 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.526 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 39.3 mt-10 -64.07 -40.11 95.54 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.883 177.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 p -85.09 12.82 7.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.36 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.31 150.51 20.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' A' ' 113' ' ' ARG . 14.9 t70 -56.58 136.83 77.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.73 -38.16 55.75 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.764 2.309 . . . . 0.0 112.341 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.31 -37.79 63.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.548 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.6 -23.53 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.7 ttp180 -68.2 -27.56 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.043 174.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.55 -5.92 19.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.271 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.7 t80 -95.87 87.76 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.196 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.0 131.67 43.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.674 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 48' ' ' VAL . 79.2 m80 -58.63 -38.47 78.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.84 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.33 -51.03 65.99 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.3 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.66 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 37.5 m-80 -61.16 -43.54 98.72 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 18.3 ttp180 -65.75 -53.51 39.62 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -54.77 -39.91 68.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.377 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -61.13 -53.05 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -67.14 -22.97 65.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.695 -178.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 22.1 mm-40 -74.76 -37.27 62.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.4 pt-20 -94.66 -1.78 52.5 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.693 0.283 . . . . 0.0 111.366 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -138.71 99.68 3.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.801 0.334 . . . . 0.0 110.181 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 35.6 t70 -80.31 98.72 7.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.262 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 97.0 m-85 -60.83 137.29 58.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.062 0.458 . . . . 0.0 111.604 -175.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 mt -122.36 -51.05 1.98 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.477 -172.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.33 149.13 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.059 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 tp -114.44 145.51 41.78 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 30.1 ttt85 -138.62 99.47 3.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.94 136.68 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.246 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.6 mt -109.51 -58.89 1.98 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 110.968 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.79 166.99 28.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.057 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.6 p -162.59 143.65 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.747 0.274 . . . . 0.0 111.048 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -148.95 135.89 19.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.235 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 38.1 tt0 -116.64 115.32 25.47 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -109.75 50.75 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.228 0.537 . . . . 0.0 109.702 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.96 -104.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.483 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 14.6 m -85.97 -14.16 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -177.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -117.11 134.01 55.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.36 154.51 25.13 Favored Glycine 0 CA--C 1.509 -0.29 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.322 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -139.54 138.54 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 5.1 p -143.34 134.81 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 109' ' ' ARG . 39.9 tt0 -110.74 136.04 50.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.396 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -156.77 171.75 19.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.0 111.049 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 107' ' ' HIS . 81.0 mt -126.29 122.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.247 175.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.15 118.38 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -94.13 122.0 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.5 p90 -139.25 155.8 47.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.131 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.506 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 12.4 ttp85 -88.94 110.69 21.32 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.633 -172.097 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.237 0.432 0 N-CA-C 113.111 0.389 . . . . 0.0 113.111 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.21 108.95 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -98.75 140.54 32.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.553 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 p -115.01 114.2 25.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 15.1 t60 -92.9 107.11 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.877 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.5 t-160 -103.17 120.04 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.47 176.25 10.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.116 0.484 . . . . 0.0 110.33 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 91' ' ' GLU . 33.6 ttm180 -128.56 101.79 6.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.7 m -92.31 135.61 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 23.1 mp0 -101.31 140.5 35.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -125.67 164.98 19.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.97 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.462 HH21 ' CG ' ' A' ' 52' ' ' ASP . 24.0 ttp180 -129.06 132.16 47.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.986 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 66.7 tttt -94.61 106.46 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.764 -173.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.432 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -117.53 123.66 46.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.11 23.19 8.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.338 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.33 67.68 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.073 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -91.18 137.16 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.461 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 83.4 m95 -91.04 128.16 36.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.838 0.352 . . . . 0.0 110.596 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 115' ' ' ALA . 86.7 m-85 -119.52 134.81 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.65 120.7 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.971 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 m -100.81 -46.13 5.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.9 pt-20 -165.93 170.32 13.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.28 31.08 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.3 138.14 9.79 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.964 0.382 . . . . 0.0 111.22 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 173.002 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.555 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.8 m -68.62 76.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.937 0.875 . . . . 0.0 110.263 172.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 57.7 m -166.33 139.43 3.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.706 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.88 87.22 0.02 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 p -169.19 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 0.0 110.174 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.26 -22.38 35.18 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.986 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.1 mtmt -68.38 162.38 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.481 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 32.2 p -69.57 179.15 2.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.88 -50.8 72.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.15 -56.57 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.31 -26.61 66.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.9 t -100.93 -80.66 0.49 Allowed 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.4 m -74.15 -21.31 59.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.35 -55.88 14.79 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.523 -0.598 . . . . 0.0 114.421 -170.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.5 Cg_endo -65.95 -30.03 48.78 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.19 1.927 . . . . 0.0 112.693 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.12 -51.5 13.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.788 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.13 -25.96 65.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -10.59 59.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 49' ' ' GLU . 6.2 mmt85 65.11 6.82 3.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.679 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -80.38 -23.1 40.7 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.253 -174.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -142.24 134.11 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.732 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 m -84.98 140.1 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.108 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.85 78.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.88 9.67 3.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.148 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.9 m -148.88 136.31 10.96 Favored Pre-proline 0 C--O 1.235 0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.18 -45.11 40.48 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.635 2.224 . . . . 0.0 111.965 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.31 -42.5 96.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.47 -18.98 63.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.582 HD11 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -90.22 -47.66 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.55 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 4.4 ppp? -61.32 -42.6 98.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.14 -172.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.61 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.5 -22.97 62.59 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.377 -178.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 m -76.02 -41.88 49.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.582 ' HD2' HD11 ' A' ' 31' ' ' LEU . 40.9 mtp180 -66.45 -38.71 87.97 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.032 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' PHE . 76.3 t80 -52.91 -47.48 67.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.393 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -63.21 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.905 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.98 88.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.546 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE1' HG13 ' A' ' 47' ' ' ILE . 3.5 m-85 -65.18 -47.42 77.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.885 0.374 . . . . 0.0 110.498 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.35 -28.54 70.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.3 mt -98.76 17.62 18.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.93 25.07 0.09 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.589 1.156 . . . . 0.0 113.247 -179.373 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -96.89 64.47 2.03 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 29.9 p90 -67.26 -10.82 54.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.718 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 24.5 t70 -56.43 -50.53 71.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.433 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.12 -32.71 74.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 ' O ' ' A' ' 35' ' ' ARG . 27.1 mm -55.35 -52.22 48.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.661 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 39.2 t -56.88 -42.76 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.62 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 21' ' ' ARG . 36.3 mt-10 -60.15 -42.6 95.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -91.7 21.3 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.171 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -97.65 150.74 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.66 135.05 45.2 Favored Pre-proline 0 N--CA 1.463 0.199 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.804 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.76 -35.02 67.52 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.581 2.187 . . . . 0.0 112.152 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.99 -33.62 65.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.4 mmm180 -85.26 -32.0 22.8 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.86 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 43.8 ttp180 -66.58 -20.57 66.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.941 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.81 -31.24 70.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.654 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.2 mp -90.77 -32.7 16.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.539 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.8 m-85 -56.7 124.73 19.4 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -174.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 63' ' ' VAL . 6.4 m-20 -111.16 140.19 45.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 167.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -61.37 -37.88 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.658 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.51 -37.72 88.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.701 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 60' ' ' ASP . 44.3 t -71.01 -37.1 66.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.065 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.07 -37.98 87.09 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.565 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 11.9 ttm180 -64.43 -46.54 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.956 174.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -52.63 -46.91 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.392 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 15.2 m0 -56.47 -52.83 63.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.425 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 10.6 ptm -66.26 -21.64 66.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.348 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -78.4 -44.0 26.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -91.03 -6.08 54.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 111.09 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -131.63 91.22 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.962 171.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.11 89.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.986 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 97.8 m-85 -58.8 114.53 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.875 0.369 . . . . 0.0 111.627 -175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.7 -61.45 1.39 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.335 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -127.5 141.71 51.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.831 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.7 tp -110.38 131.91 54.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 171.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.659 ' NH2' HH22 ' A' ' 95' ' ' ARG . 26.4 ttm180 -125.5 98.19 5.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.78 130.15 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.992 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 mt -105.09 -56.5 2.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.948 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.93 164.83 31.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.167 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -159.27 152.27 22.07 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.716 0.293 . . . . 0.0 110.975 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -149.08 135.47 19.34 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.21 115.07 29.59 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -107.97 53.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 0.0 109.547 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.79 -107.79 3.33 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.991 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.587 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 71.2 m -101.68 9.17 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.784 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.524 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -138.3 133.35 32.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.82 179.56 24.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.773 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.43 HG23 HE21 ' A' ' 111' ' ' GLN . 88.7 m -152.39 149.96 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.423 0.289 . . . . 0.0 110.262 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 2.4 p -146.04 124.1 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 109.982 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.45 137.47 34.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.654 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -155.08 -178.22 7.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 77.9 mt -129.52 110.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.301 174.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.69 109.17 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.873 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.659 HH22 ' NH2' ' A' ' 77' ' ' ARG . 39.0 ttm180 -97.46 138.18 35.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.48 151.45 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.216 0.531 . . . . 0.0 111.364 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -93.01 130.16 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.664 -176.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 121.116 0.381 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -98.82 138.79 35.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.935 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -128.92 137.53 51.47 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 32.3 m -114.98 130.67 56.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.094 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -113.64 127.69 56.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -105.42 101.18 10.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.74 170.81 8.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.68 0.752 . . . . 0.0 111.419 -176.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -137.25 101.49 4.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -99.96 137.7 38.05 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.062 0.458 . . . . 0.0 111.558 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.524 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 2.0 mp0 -97.63 139.66 33.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.694 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -124.94 150.35 46.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.693 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -111.48 148.15 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 77.9 tttt -113.4 129.01 56.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.759 0.314 . . . . 0.0 110.584 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -142.16 125.82 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.192 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 4.0 mpt_? 56.34 26.52 10.71 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 93.01 -20.01 48.52 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.257 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 143.39 27.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.084 0.442 . . . . 0.0 109.896 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -97.83 141.81 30.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -130.58 141.93 50.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.526 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -71.95 118.12 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.984 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.7 m -93.8 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -143.24 139.29 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.678 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.21 106.92 0.78 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.11 167.75 13.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.447 0.299 . . . . 0.0 110.205 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.41 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 177.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 6.4 t . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.604 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 6.8 m -57.91 87.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.788 0.804 . . . . 0.0 109.786 172.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 97.5 m -171.64 164.0 6.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.406 -173.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.75 59.21 2.99 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 p 179.4 117.24 0.05 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.669 0.788 . . . . 0.0 109.214 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.08 10.84 8.93 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.893 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -70.49 166.32 20.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.081 0.44 . . . . 0.0 110.027 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 57.6 p -73.16 175.97 6.29 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.007 0.432 . . . . 0.0 111.436 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.03 -58.13 9.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.53 -41.68 98.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.15 -47.19 80.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.512 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.9 OUTLIER -84.8 -74.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.937 -177.02 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 55.9 m -74.14 -24.06 59.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.63 -55.27 14.24 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.558 -0.579 . . . . 0.0 114.466 -169.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.1 Cg_endo -63.83 -30.19 68.19 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.279 1.986 . . . . 0.0 112.565 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.5 mm? -75.59 -49.58 18.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.99 -25.49 64.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.01 -7.14 47.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.331 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 61.57 14.02 5.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.178 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -105.34 -6.41 19.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.575 -172.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -130.44 135.19 47.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -90.1 122.62 33.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.567 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.26 68.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.666 0.269 . . . . 0.0 111.249 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.02 7.32 2.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.503 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -150.62 136.35 10.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.1 -42.05 61.4 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.523 2.149 . . . . 0.0 112.22 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -71.87 -30.7 65.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -178.42 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -73.07 -36.32 66.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 110.668 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -75.64 -38.63 58.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.593 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 20.4 ptm -64.18 -50.18 69.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' N ' ' HG3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.86 -24.29 58.55 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.007 -172.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 p -72.17 -47.47 50.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -69.23 -32.36 71.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 178.39 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -51.54 -43.9 62.5 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.97 0.414 . . . . 0.0 110.657 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.578 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.846 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.11 -37.43 85.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.561 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 2.1 m-85 -62.65 -41.99 99.36 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.214 175.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.38 69.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -91.01 15.12 12.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.43 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.591 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 45.58 23.41 0.14 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.459 1.103 . . . . 0.0 112.591 -178.078 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.95 85.67 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.58 . . . . 0.0 109.966 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.4 p90 -71.77 -13.61 61.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.548 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.43 -55.2 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.407 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -64.28 -32.77 74.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.977 0.418 . . . . 0.0 110.692 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 35' ' ' ARG . 51.6 mm -62.23 -53.08 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 44' ' ' PHE . 40.7 t -55.1 -41.96 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.86 -177.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.06 -31.47 71.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 p -91.59 19.39 6.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.282 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.271 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 12.2 t70 -50.08 135.56 22.02 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.171 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.72 -33.97 72.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.706 2.27 . . . . 0.0 112.127 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -78.55 -33.97 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 43.8 mmt-85 -80.19 -25.89 39.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.225 0.536 . . . . 0.0 110.141 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.42 -27.23 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.46 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.4 -44.28 95.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.196 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.62 -25.87 61.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.345 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.84 102.94 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.376 174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.47 143.45 37.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -54.61 -47.31 73.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -170.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.66 -47.8 83.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 111.097 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.23 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.357 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -58.36 -36.6 73.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 42.7 ttp180 -76.97 -46.21 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.123 178.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.88 -40.57 30.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.369 -174.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -58.21 -54.71 43.87 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.611 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.591 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 15.8 ptm -65.05 -30.28 71.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.314 -174.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 33.4 mt-10 -63.53 -29.76 70.98 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.6 10.33 21.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.738 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -135.24 76.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.673 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.58 93.18 0.15 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.356 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.9 m-85 -58.73 131.34 50.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.048 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.16 -51.12 2.64 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -150.84 148.14 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.613 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.6 tp -120.11 126.89 51.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.205 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -115.44 98.67 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -82.53 126.79 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.421 HD12 ' HG2' ' A' ' 91' ' ' GLU . 68.5 mt -95.36 -60.18 1.72 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.061 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.14 29.52 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.616 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -137.17 157.48 46.57 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.688 0.28 . . . . 0.0 110.393 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.1 m -150.07 135.05 17.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.174 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.63 114.99 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -105.03 80.79 1.65 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.1 -94.42 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.563 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 m -117.4 3.42 12.52 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -128.61 133.5 48.33 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.57 175.86 18.12 Favored Glycine 0 CA--C 1.505 -0.57 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.76 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -154.39 141.05 18.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.509 HG21 ' SD ' ' A' ' 32' ' ' MET . 7.3 p -134.54 131.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.87 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.4 tt0 -100.21 138.82 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.415 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -154.81 179.51 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.21 0.528 . . . . 0.0 111.664 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 68.4 mt -134.29 113.17 16.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.194 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.12 113.98 26.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.375 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -95.62 121.08 36.95 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.9 p90 -143.77 155.24 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.068 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.5 ttp180 -89.84 107.8 19.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 -174.202 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo . . . . . 0 CA--C 1.533 0.431 0 N-CA-C 113.699 0.615 . . . . 0.0 113.699 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.5 mt-10 -83.11 112.22 19.61 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.758 175.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -100.65 142.61 31.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.001 0.429 . . . . 0.0 110.139 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.0 p -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.5 119.19 34.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -102.23 101.06 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.062 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 -176.17 3.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -136.84 104.46 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 p -92.43 131.47 37.56 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 125' ' ' GLU . 24.2 mp0 -96.83 135.77 38.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.371 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.68 159.16 25.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.391 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -122.96 142.48 50.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.727 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -105.89 113.82 27.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.196 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.14 129.69 34.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.784 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.47 19.27 11.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 109.624 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.56 63.05 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.483 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 3.8 mpt_? -93.85 157.03 16.33 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -104.9 140.14 38.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -131.79 141.95 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.088 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -70.81 117.48 12.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.685 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.4 m -97.92 -52.44 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 111.212 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -159.2 178.26 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.805 -174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -156.4 134.72 4.18 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' HG2' HE22 ' A' ' 111' ' ' GLN . 12.6 pt-20 -125.62 153.69 43.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 110.245 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.223 179.676 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.33 0.109 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.83 45.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 110.856 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.32 133.13 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.49 85.0 0.01 OUTLIER Glycine 0 C--N 1.336 0.531 0 O-C-N 123.748 0.655 . . . . 0.0 113.732 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.54 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 23.7 m -132.93 -11.62 2.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.563 0.221 . . . . 0.0 111.244 175.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.75 24.54 69.85 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.005 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.4 mmmt -128.07 166.63 18.07 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.863 0.465 . . . . 0.0 110.325 -173.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 70.4 p -75.09 -171.99 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 176.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -75.3 -55.77 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.503 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 m-20 -58.01 -45.11 87.39 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.553 -174.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' HB3' ' HE3' ' A' ' 9' ' ' LYS . 7.2 m-20 -70.98 -40.32 71.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 41.0 t -88.02 -93.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.455 -170.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 99.5 m -74.26 -20.29 60.2 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -52.12 -54.8 24.5 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.658 -0.523 . . . . 0.0 114.361 -173.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 29.6 Cg_endo -63.47 -26.7 70.28 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.227 1.951 . . . . 0.0 112.413 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.7 mm? -75.2 -51.11 14.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.218 0.533 . . . . 0.0 109.736 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.37 -26.08 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.31 -12.52 60.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.671 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 63.55 27.76 15.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.033 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -111.42 -25.91 9.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.458 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.8 ttm180 -122.47 136.18 54.83 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.869 0.366 . . . . 0.0 111.182 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 p -87.43 133.55 33.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.268 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.55 76.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.392 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.46 18.56 6.99 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.645 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.5 t -159.16 139.0 8.63 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.06 -45.45 27.95 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.629 2.219 . . . . 0.0 112.028 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB3' ' OG ' ' A' ' 81' ' ' SER . 7.7 pt-20 -67.51 -43.3 81.2 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.557 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -63.77 -19.96 65.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.997 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB ' ' A' ' 50' ' ' THR . 2.6 tm? -89.86 -41.87 11.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.651 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.3 tmm? -61.45 -50.38 73.01 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.614 -173.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.455 -176.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.676 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 m -75.98 -43.62 43.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 32' ' ' MET . 34.7 ptt180 -62.65 -37.63 87.12 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.036 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 64.1 t80 -56.38 -43.81 79.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 110.211 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.85 78.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.64 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.5 85.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.774 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' HG13 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.71 -39.4 93.58 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.723 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.35 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' LYS . 97.7 mt -95.62 6.68 48.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.704 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 75.29 -27.38 0.19 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.283 0.633 . . . . 0.0 112.561 177.53 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.41 78.9 0.39 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.158 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -71.87 -9.82 58.88 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.02 0.438 . . . . 0.0 110.528 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.19 -45.47 53.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.685 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 75.4 t80 -60.41 -34.06 73.4 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 35' ' ' ARG . 38.2 mm -60.59 -48.2 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 109.645 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 56' ' ' ARG . 25.7 t -59.46 -34.85 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.095 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -71.62 -20.27 62.0 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.707 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.512 ' HB ' HD11 ' A' ' 31' ' ' LEU . 21.2 p -113.63 22.68 13.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 111.513 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -118.02 134.77 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' N ' ' HB3' ' A' ' 120' ' ' TYR . 1.8 m-20 -52.54 139.06 39.77 Favored Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.125 0.266 . . . . 0.0 110.442 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 56' ' ' ARG . 10.3 Cg_endo -50.2 -34.78 40.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.042 2.495 . . . . 0.0 112.351 -174.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.964 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -87.77 -31.47 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.229 0.537 . . . . 0.0 109.933 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 20.4 ttt180 -60.86 -35.06 75.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.238 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.19 -33.0 74.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.366 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.5 mt -78.75 -19.87 51.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -68.49 110.53 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.15 136.83 37.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.775 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -57.07 -45.18 83.48 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.351 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.48 -51.15 70.7 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.477 0.656 . . . . 0.0 110.315 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.28 -49.19 74.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.125 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.16 -32.13 71.85 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.8 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 41.8 ttt-85 -70.47 -45.79 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.27 -37.92 49.91 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.874 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -55.73 -57.26 12.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.028 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -67.71 -25.91 65.91 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.73 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 16.2 mm-40 -63.19 -38.58 91.75 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.73 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HB2' ' NH2' ' A' ' 98' ' ' ARG . 12.7 pt-20 -113.99 18.91 16.93 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.676 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -145.1 101.76 3.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.811 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.26 107.75 17.44 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.3 m-85 -65.1 124.21 21.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.237 -175.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 96' ' ' PHE . 78.6 mt -101.03 -57.58 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 -175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -148.35 153.02 38.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.624 -171.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -125.86 127.84 46.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -130.45 109.9 11.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.158 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.19 129.05 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 91' ' ' GLU . 77.6 mt -94.95 -50.04 5.29 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.01 158.45 29.44 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.143 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 29' ' ' GLU . 44.8 m -148.17 144.11 27.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.2 m -147.35 119.21 8.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.0 124.42 43.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.924 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -117.96 90.92 3.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.55 -90.74 0.12 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.397 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -125.4 -4.18 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 111.069 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' A' ' 87' ' ' ARG . 1.7 tmm_? -114.38 133.16 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.61 166.05 25.15 Favored Glycine 0 CA--C 1.509 -0.331 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.605 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 m -146.42 143.13 28.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.4 132.37 31.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.987 0.422 . . . . 0.0 110.753 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.497 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.2 tt0 -104.3 139.84 38.72 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.66 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' ' HG ' ' A' ' 79' ' ' LEU . 23.0 p90 -157.85 -177.18 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -135.88 114.52 15.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.557 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.51 112.12 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.196 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -95.61 126.29 40.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.2 p90 -150.08 162.4 40.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.673 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -89.57 118.66 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 1.6 tpm_? . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.137 -175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 C--O 1.234 0.301 0 CA-C-O 121.162 0.401 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.46 106.74 17.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -98.33 141.41 31.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.986 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -125.32 112.62 16.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.923 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -88.9 114.97 26.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.812 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -97.12 108.96 21.8 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.94 175.42 9.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.157 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -138.14 107.91 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.468 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 14.9 p -100.75 134.05 44.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.825 0.345 . . . . 0.0 111.406 -175.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 1.3 mp0 -92.19 141.63 28.37 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.729 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.426 ' CE2' HD12 ' A' ' 31' ' ' LEU . 83.0 m-85 -126.68 146.92 50.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.843 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -117.09 133.92 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -92.27 114.22 26.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.968 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -133.27 136.07 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.154 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.87 24.63 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.333 0.587 . . . . 0.0 110.349 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.47 -18.19 53.23 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.102 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 157.0 16.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 117.017 0.409 . . . . 0.0 110.14 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -102.71 131.68 49.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.901 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 61.5 m-85 -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.441 . . . . 0.0 110.367 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.05 117.17 16.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.597 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -96.58 -44.5 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.781 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.8 pt-20 -166.78 158.23 12.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.474 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -152.86 123.74 1.49 Allowed Glycine 0 CA--C 1.517 0.158 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.154 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.45 143.58 45.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.529 0.332 . . . . 0.0 110.921 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 169.247 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.4 t . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.572 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.8 m -59.52 84.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 122.244 1.021 . . . . 0.0 109.81 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.572 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 99.2 m -171.27 153.48 3.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.843 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' LEU . . . -74.49 52.92 2.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.606 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -160.87 122.63 3.04 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.62 55.89 4.46 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.459 -0.401 . . . . 0.0 113.193 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 35.0 mtmt -124.26 163.49 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 82.0 p -68.51 170.46 9.05 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 111.233 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 39.6 t80 -59.33 -52.68 64.62 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.91 -55.17 38.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.852 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.13 -50.31 71.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.525 0.679 . . . . 0.0 110.731 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.4 t -79.77 -75.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.783 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.8 m -74.54 -24.99 59.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.63 -55.2 21.32 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 47.7 Cg_endo -70.27 -26.61 25.0 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.08 1.854 . . . . 0.0 112.421 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.32 -47.94 25.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.885 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 ' CG ' ' A' ' 46' ' ' TYR . 28.0 mt -61.36 -32.02 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.49 -6.02 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.89 16.27 3.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.21 -19.51 56.59 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.824 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 63.8 ttt-85 -130.78 130.02 43.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.706 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 p -86.44 126.86 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -51.16 -37.5 46.67 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.219 0.324 . . . . 0.0 111.232 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.96 15.44 9.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.664 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 p -159.49 141.88 10.02 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.814 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.45 -49.02 6.45 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.704 2.269 . . . . 0.0 113.072 -172.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -65.65 -30.08 70.74 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.686 0.279 . . . . 0.0 111.637 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -69.45 -49.07 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.172 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.2 tm? -61.24 -35.82 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.172 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 76' ' ' LEU . 16.5 tmm? -64.22 -50.21 68.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.446 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.41 -28.26 62.86 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.978 -175.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 51.8 p -69.79 -44.19 70.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.253 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -72.24 -32.5 66.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 -178.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 52.5 t80 -52.33 -44.92 65.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 110.537 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.92 -36.72 82.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -59.44 -36.17 75.42 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.75 -46.86 88.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.193 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.46 -17.9 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 93.5 mt -99.1 4.74 47.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.61 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 4.7 tppp? 70.53 3.38 4.48 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.247 0.546 . . . . 0.0 110.957 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.14 79.3 5.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.214 0.53 . . . . 0.0 110.557 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -72.65 -9.93 59.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.559 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.26 -51.08 70.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.718 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CG ' HD23 ' A' ' 19' ' ' LEU . 52.6 t80 -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.6 mm -62.63 -59.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.5 -35.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.658 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -67.5 -30.39 70.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.586 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.554 ' HB ' HD11 ' A' ' 31' ' ' LEU . 32.4 p -98.01 22.26 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -113.07 138.07 50.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.171 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.32 136.02 16.46 Favored Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 123.363 0.414 . . . . 0.0 109.978 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.91 -41.02 65.6 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 111.413 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.32 -28.86 67.19 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.2 mmt180 -99.25 -25.11 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.176 0.513 . . . . 0.0 110.285 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -64.13 -35.13 79.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.08 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.0 -27.12 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.138 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.6 -6.92 51.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.478 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -71.42 144.43 49.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 10.0 m-20 -118.98 129.29 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.225 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -59.56 -50.38 74.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.46 -48.01 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.035 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 60' ' ' ASP . 78.1 t -62.88 -36.2 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.729 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' HA ' ' CE3' ' A' ' 67' ' ' TRP . 33.0 t-20 -57.68 -46.23 84.55 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.394 0.616 . . . . 0.0 109.553 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 39.0 ttm180 -66.81 -42.23 86.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.382 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.93 -37.25 60.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 24.3 m0 -57.84 -52.73 64.29 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.139 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 17.8 ptm -69.15 -31.17 69.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.699 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 18.8 mm-40 -57.68 -45.65 85.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.947 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 12.0 pt-20 -99.45 12.93 35.04 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -146.39 79.99 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.811 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.66 101.44 1.03 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.959 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 87.6 m-85 -69.74 123.06 20.44 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.71 -175.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 96' ' ' PHE . 10.8 mp -93.54 -65.45 0.99 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.053 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.43 157.66 40.25 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.68 0.276 . . . . 0.0 110.691 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' SD ' ' A' ' 32' ' ' MET . 53.0 tp -110.23 150.4 28.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -176.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.89 103.88 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -85.83 109.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.66 0.266 . . . . 0.0 110.288 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.12 -64.38 1.15 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.816 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.0 153.03 24.74 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.316 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 p -135.27 153.24 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.621 0.248 . . . . 0.0 110.544 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -147.02 119.74 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.455 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -101.32 121.58 42.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -120.9 83.17 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.191 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.98 -90.1 0.21 Allowed Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.305 -0.474 . . . . 0.0 112.582 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -125.96 2.84 7.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 110.594 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -115.25 133.13 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.97 158.07 19.38 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.879 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -150.14 131.74 14.88 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.7 131.56 50.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -105.02 129.61 53.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.12 176.16 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.398 0.618 . . . . 0.0 111.861 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 105' ' ' SER . 66.4 mt -132.18 121.89 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.557 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.38 123.15 46.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -95.35 132.8 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.7 p90 -154.34 159.67 41.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.33 115.03 26.5 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 . . . . . 0 C--O 1.236 0.372 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.219 -176.02 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.233 0.259 0 N-CA-C 113.108 0.388 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.95 101.45 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.203 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -96.55 145.7 25.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 6.8 p -116.16 112.15 21.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.228 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 7.1 t60 -83.25 111.59 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.142 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 93' ' ' ILE . 10.1 t-160 -102.96 119.07 38.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.628 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 7.1 pt-20 -153.9 -175.98 5.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.003 0.43 . . . . 0.0 111.022 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -133.47 107.9 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.622 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 m -97.51 139.29 33.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.996 0.427 . . . . 0.0 111.31 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.92 141.34 31.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.066 175.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -128.1 148.53 50.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.634 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -120.87 131.56 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 0.0 110.386 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.99 110.1 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.63 131.13 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.188 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 61.84 21.96 12.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.631 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.67 66.84 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.825 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -102.32 156.75 17.38 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -97.72 132.85 42.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.71 0.291 . . . . 0.0 110.34 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.88 158.63 33.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.362 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -82.73 119.31 24.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.529 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.57 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 18.4 m -91.98 -45.95 8.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.32 154.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.512 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.81 130.88 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -155.12 171.37 19.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.86 0.362 . . . . 0.0 110.681 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.028 179.851 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.7 t . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.7 m -68.13 73.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 122.229 1.014 . . . . 0.0 110.102 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 37.7 m -167.16 149.3 6.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.813 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.64 70.81 1.11 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 m -130.22 -36.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.681 0.277 . . . . 0.0 111.572 -171.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.44 22.2 78.84 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.071 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -129.54 171.55 12.47 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.564 0.221 . . . . 0.0 110.423 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.9 p -73.07 178.96 4.03 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 44.6 t80 -60.34 -50.52 73.29 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 174.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.31 -47.81 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.557 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.87 -32.14 71.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.93 -78.34 0.46 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.783 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.0 m -73.87 -21.17 60.19 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.89 -55.17 15.48 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.352 -0.693 . . . . 0.0 114.755 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 41.7 Cg_endo -68.45 -25.53 35.41 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.042 1.828 . . . . 0.0 112.442 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.8 mm? -75.44 -51.6 12.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.302 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 15' ' ' CYS . 39.0 mt -72.3 -21.89 61.28 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.541 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -72.03 -9.37 58.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.041 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 21' ' ' ARG . 11.2 mmm180 59.65 27.38 16.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.499 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.5 t -109.09 -24.56 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.436 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 14.4 ttm180 -123.81 145.9 48.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 111.48 -176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -96.09 134.69 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.51 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.966 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.29 13.15 6.75 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.007 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -159.7 140.47 9.05 Favored Pre-proline 0 C--O 1.235 0.3 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -60.49 -42.35 41.33 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.511 2.141 . . . . 0.0 111.592 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.6 -45.84 91.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.252 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -66.47 -29.26 69.34 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.67 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.0 tm? -72.64 -47.43 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.562 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.81 -50.69 65.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.811 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -65.72 -21.22 66.51 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.784 -174.351 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -76.3 -50.64 13.82 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.584 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 47' ' ' ILE . 21.0 ptt180 -67.31 -32.41 73.36 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.606 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 65.4 t80 -52.37 -42.29 63.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 110.471 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.642 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -67.56 -39.06 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.672 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.054 0.454 . . . . 0.0 110.214 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.917 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -29.65 68.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.244 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 98.5 mt -84.15 8.65 14.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 176.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 66.2 mmtt 68.32 6.54 5.38 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.478 0.711 . . . . 0.0 110.978 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.97 80.3 5.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 p90 -72.1 -11.84 60.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.75 -49.26 78.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.013 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.544 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 88.2 t80 -64.38 -32.77 74.52 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.358 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.3 mm -62.2 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.04 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 44' ' ' PHE . 95.5 t -54.85 -45.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.336 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 31' ' ' LEU . 20.6 p -83.1 10.03 9.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.938 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -98.55 147.91 24.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.7 t70 -50.21 134.6 23.44 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 123.854 0.721 . . . . 0.0 110.473 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.71 -27.29 33.19 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.15 -43.0 18.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 122' ' ' SER . 32.9 mmt180 -78.56 -19.41 52.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.02 -26.81 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.747 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.99 -23.84 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.688 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.22 -12.48 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.241 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -76.89 158.58 30.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.188 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -156.07 141.07 17.29 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.31 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -53.46 -44.71 69.15 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.756 -175.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.26 -55.18 36.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.417 0.627 . . . . 0.0 110.966 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.95 -43.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.145 -170.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -63.6 -39.29 94.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.487 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 10.6 tpt180 -62.5 -55.74 24.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.42 -46.48 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.815 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.76 -51.51 68.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.482 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.547 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -71.15 -18.25 62.51 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.741 0.305 . . . . 0.0 111.124 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.2 mm-40 -76.77 -55.28 5.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -82.56 -27.22 31.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.638 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.9 m -105.22 93.35 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 0.0 110.362 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.99 121.14 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.48 114.64 14.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.877 0.37 . . . . 0.0 111.261 -175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.8 -54.78 3.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.3 tt0 -148.08 149.08 31.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.313 -167.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 77' ' ' ARG . 3.3 tm? -127.18 137.0 52.84 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.454 ' N ' HD13 ' A' ' 76' ' ' LEU . 38.2 ttm180 -142.44 109.07 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 110.685 -176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.2 t -80.34 126.67 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.093 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.8 mt -96.65 -48.1 5.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.142 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.79 138.86 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.093 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -123.9 141.08 52.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -148.03 145.77 28.61 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.303 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -130.01 135.68 48.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.256 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -128.94 65.14 1.45 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.46 -104.07 1.3 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.947 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 m -96.81 5.48 50.5 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 111.281 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 113' ' ' ARG . 19.4 tpt180 -136.41 139.11 42.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.93 175.72 27.11 Favored Glycine 0 CA--C 1.508 -0.349 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.265 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.6 m -151.45 142.94 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.52 126.54 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.12 0.486 . . . . 0.0 109.913 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.88 132.81 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -155.96 179.0 9.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.379 0.609 . . . . 0.0 111.499 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.93 117.34 47.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.892 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.87 109.6 22.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 78.3 ttt180 -95.24 122.2 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.965 0.412 . . . . 0.0 110.227 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -143.42 169.78 17.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.155 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 54.1 ttp180 -89.76 122.01 32.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.249 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 CA--C 1.531 0.343 0 N-CA-C 113.489 0.534 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 65.3 mt-10 -98.01 171.55 8.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 174.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -161.41 146.45 13.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.242 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 p -129.2 111.84 13.32 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -85.65 107.49 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.359 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -91.43 101.11 13.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.54 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.23 166.09 15.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 111.096 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -132.89 101.26 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.432 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 73.6 m -107.64 141.27 39.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.242 0.544 . . . . 0.0 112.016 -171.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -97.94 143.25 28.72 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.251 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -127.24 140.85 51.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.485 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HB2' HH11 ' A' ' 87' ' ' ARG . 22.2 ttp180 -109.52 138.94 45.14 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' A' ' 117' ' ' GLY . 78.5 tttt -95.71 122.87 38.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.262 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.07 132.55 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.845 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 62.51 17.12 9.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.219 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 91.71 -14.79 63.17 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.224 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.52 148.34 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -98.3 136.77 38.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -125.42 136.0 52.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.169 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -62.79 112.54 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.207 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 56.3 m -95.4 -31.8 13.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.794 -173.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 178.6 159.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -151.05 146.69 15.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.85 164.37 36.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.471 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.484 0.183 . . . . 0.0 110.681 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.77 -14.85 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.853 0.461 . . . . 0.0 111.926 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 34.4 m -64.87 173.17 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.734 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.53 54.21 2.84 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -160.88 114.68 2.05 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.7 -9.7 59.49 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.974 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 22.0 mtmt -59.78 159.55 8.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -67.63 172.56 5.04 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.052 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -51.36 -55.7 17.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.247 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.4 -54.03 19.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.756 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.13 0.491 . . . . 0.0 110.971 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 t -93.2 -75.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.093 176.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 m -74.63 -26.57 59.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.23 15.23 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.637 0.615 . . . . 0.0 114.637 -168.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 58.0 Cg_endo -72.29 -25.28 18.78 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 122.021 1.814 . . . . 0.0 112.683 -178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.8 mm? -75.57 -50.73 14.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.14 -30.8 69.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' HD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 60.08 20.27 9.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.285 -176.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -84.55 -16.01 43.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 77.3 ttt180 -134.21 130.22 36.88 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 p -85.54 120.57 27.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.385 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.38 66.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.678 0.275 . . . . 0.0 111.154 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.84 15.72 8.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.942 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 40.3 t -146.95 137.52 12.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.14 -46.38 12.99 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.557 2.172 . . . . 0.0 111.818 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.0 pt-20 -62.57 -46.44 88.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -62.25 -40.49 96.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.3 tm? -70.6 -41.13 72.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 15.8 tmm? -62.57 -51.05 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.794 -175.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -74.83 -20.89 59.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.835 -175.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.403 ' HG ' HH11 ' A' ' 33' ' ' ARG . 56.5 m -72.59 -46.81 52.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.293 173.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 32' ' ' MET . 1.7 ptm180 -69.15 -34.7 75.41 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 34.0 t80 -51.38 -42.07 61.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 110.592 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.599 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -58.82 -33.44 70.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.792 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -58.87 -37.63 76.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 8.3 m-85 -63.69 -44.51 93.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 110.419 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.4 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 89.8 mt -99.22 15.64 25.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.682 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.1 OUTLIER 51.33 14.96 0.26 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.397 178.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 24.7 t70 -102.78 92.27 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.45 -13.63 61.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.219 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.9 -51.98 66.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.545 0.212 . . . . 0.0 111.011 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.446 ' HD1' ' HD2' ' A' ' 21' ' ' ARG . 32.3 t80 -61.56 -32.59 72.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 110.478 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 35' ' ' ARG . 44.7 mm -61.13 -56.14 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' PHE . 54.9 t -51.31 -45.65 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.611 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.85 -28.36 69.97 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.104 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.469 ' HB ' HD11 ' A' ' 31' ' ' LEU . 30.1 p -101.05 22.67 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.362 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.3 m -103.61 148.75 25.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.724 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.49 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 10.0 t70 -49.19 135.12 15.92 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.09 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.72 -33.77 71.46 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.47 2.114 . . . . 0.0 112.124 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.8 -12.88 55.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.536 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 36.5 mmt180 -101.03 -31.69 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.014 0.435 . . . . 0.0 110.413 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.733 -173.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 -30.7 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -84.06 -23.53 30.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.86 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.26 126.3 26.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.32 145.14 40.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.108 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -61.78 -49.8 74.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.07 -42.21 99.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.504 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.65 -43.11 98.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.513 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -40.77 98.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.408 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.3 ttp180 -64.42 -48.43 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.109 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.92 -35.67 46.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.327 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.455 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 2.1 t-105 -59.65 -53.41 58.31 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.682 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.5 ptt? -71.75 -21.87 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 38.2 mt-10 -74.24 -35.69 63.85 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.465 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' TRP . 16.2 pt-20 -85.19 -7.88 58.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.865 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 p -158.42 107.05 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 111.327 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.99 109.58 14.56 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.8 m-85 -74.99 116.47 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.943 0.401 . . . . 0.0 111.913 -174.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -90.06 -56.43 3.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.746 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 38.5 tt0 -141.89 147.23 36.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.422 -167.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.64 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.1 tm? -117.89 142.36 47.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.906 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.481 ' N ' HD13 ' A' ' 76' ' ' LEU . 34.8 ttm180 -140.83 102.11 4.21 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.235 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.25 129.34 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 93' ' ' ILE . 78.0 mt -99.55 -50.17 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.605 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.45 161.35 29.14 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p -153.19 117.48 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.985 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.589 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 23.8 m -103.92 134.42 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.227 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.23 114.88 19.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 70.9 mmtt -117.26 51.08 1.04 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.257 0.551 . . . . 0.0 109.965 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.53 -97.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.876 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 18.0 p -92.2 -1.32 57.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.491 -175.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.0 tmm_? -144.11 142.24 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.581 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -153.77 -178.09 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.4 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -152.57 148.83 27.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -139.78 125.84 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.081 0.467 . . . . 0.0 109.852 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.87 132.52 50.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.085 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.0 177.31 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 79' ' ' LEU . 78.8 mt -123.16 115.95 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.567 175.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.42 116.38 28.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.008 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 55.0 ttt180 -94.99 116.79 29.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -136.61 175.71 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.319 0.581 . . . . 0.0 111.66 -177.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 47.9 ttt180 -114.38 107.51 15.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.2 ptt85 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 120.821 0.343 . . . . 0.0 110.775 -174.242 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.236 0.414 0 CA-C-O 120.951 0.313 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.8 mt-10 -76.73 155.48 33.2 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.807 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -161.22 146.41 13.91 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 p -106.35 150.76 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.846 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.64 104.82 7.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.071 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.463 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.9 t-160 -93.0 105.35 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.976 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 6.0 pt-20 -129.18 -177.62 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 111.445 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -134.35 107.14 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.821 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 m -98.98 126.9 44.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 111.408 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.96 143.12 27.28 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.953 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -134.39 142.19 47.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.736 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 ttm-85 -104.64 148.93 26.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 78.8 tttt -105.29 122.77 46.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.861 0.362 . . . . 0.0 110.682 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.43 139.73 27.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 63.78 10.43 5.14 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.364 0.265 . . . . 0.0 111.157 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.59 67.07 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -90.44 158.2 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -109.05 141.87 40.57 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.55 134.57 47.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.601 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.97 116.12 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.207 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 51.1 m -91.26 -50.14 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.622 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.44 150.8 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.11 156.56 25.64 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.4 pt-20 -163.65 146.84 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 110.833 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.139 176.167 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 2.5 t . . . . . 0 CA--C 1.518 -0.271 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.514 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.1 m -63.65 80.78 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 122.095 0.95 . . . . 0.0 110.032 173.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m -165.73 144.39 6.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.594 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.83 74.23 0.25 Allowed Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 p -174.23 134.56 0.43 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.04 57.14 3.97 Favored Glycine 0 C--N 1.329 0.151 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -124.4 156.64 36.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.702 0.401 . . . . 0.0 110.94 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.2 p -79.58 169.66 17.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.135 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 t80 -57.61 -54.12 50.4 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.768 0.318 . . . . 0.0 110.266 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.94 -53.52 20.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.97 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -53.52 -31.77 47.6 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.425 0.631 . . . . 0.0 110.663 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.7 t -94.04 -80.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.517 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.1 m -73.79 -21.47 60.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.64 -55.75 23.66 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 120.848 -0.691 . . . . 0.0 114.376 -170.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 56.5 Cg_endo -71.75 -25.31 20.53 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.151 1.901 . . . . 0.0 112.565 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.7 mm? -75.51 -51.5 12.81 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.84 -11.16 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.286 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 62.08 14.63 6.69 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.999 0.428 . . . . 0.0 110.886 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -99.28 -33.28 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.109 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 39.6 ttm180 -115.1 132.78 56.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.922 0.391 . . . . 0.0 111.245 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -83.75 132.96 34.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.325 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -59.68 -28.15 67.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.65 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 60.29 14.48 4.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.883 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 139.56 6.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.75 -53.44 4.49 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.937 2.424 . . . . 0.0 112.887 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 4.8 pt-20 -60.7 -40.12 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.181 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -60.65 -41.35 94.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 110.855 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.16 -41.48 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.747 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' NH2' ' A' ' 35' ' ' ARG . 12.9 tpt -65.58 -50.11 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.373 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -70.22 -21.83 62.97 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.499 -176.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -71.65 -41.48 68.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 33.9 mtm180 -63.08 -39.03 93.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.5 -46.74 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.6 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.626 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -62.71 -34.85 78.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.27 96.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.32 -37.55 85.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.184 177.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.35 66.96 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.508 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.26 16.89 22.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.229 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 45.36 21.62 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.257 1.023 . . . . 0.0 112.522 -175.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 61.39 5.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.199 175.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.4 p90 -63.18 -16.12 59.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.151 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.27 -39.92 61.05 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.87 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.461 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 59.5 t80 -70.73 -32.39 69.56 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.705 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.452 HG13 ' CD1' ' A' ' 39' ' ' TYR . 38.0 mm -63.17 -48.66 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.504 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.35 -34.28 69.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.181 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -62.56 -25.01 67.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.574 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -109.43 23.05 15.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 111.22 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 m -99.06 150.82 21.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.335 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 11.8 t70 -52.93 136.96 46.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.278 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.48 -33.35 46.89 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.934 2.423 . . . . 0.0 112.419 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.01 -47.16 16.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.748 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 13.5 mmt180 -70.77 -25.91 63.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.852 -175.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -59.34 -26.8 65.35 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.84 -32.36 70.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.143 0.496 . . . . 0.0 110.238 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.4 -20.86 43.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.798 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.97 120.81 17.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.022 0.439 . . . . 0.0 111.452 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -120.23 140.19 51.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.825 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.92 -42.01 95.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.729 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.62 -37.94 85.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.737 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.47 -46.22 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -57.5 -40.83 79.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 78.8 ttt180 -63.35 -46.14 87.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.481 177.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.66 -175.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 15.6 t90 -66.51 -43.02 86.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.5 ptt? -70.81 -19.54 62.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.328 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 32.8 mm-40 -78.41 -42.51 29.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.593 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 10.2 pt-20 -82.27 -8.3 59.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.227 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -143.83 107.06 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 111.74 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.08 109.87 19.14 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.4 m-85 -71.52 116.75 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.842 0.354 . . . . 0.0 111.656 -174.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.18 -50.27 6.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.012 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -157.85 150.19 22.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.0 tp -104.36 145.91 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.834 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.475 ' HD2' HD12 ' A' ' 93' ' ' ILE . 55.0 ttm-85 -130.85 99.05 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.89 128.14 39.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.53 -59.3 1.74 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -136.91 153.52 21.78 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.262 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 p -156.82 138.93 14.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.2 m -150.39 125.32 9.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 33.7 tt0 -98.12 117.4 32.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 170.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -112.56 83.72 1.86 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.182 0.515 . . . . 0.0 110.043 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.91 -91.95 0.61 Allowed Glycine 0 CA--C 1.518 0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.498 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -127.69 11.69 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.274 0.559 . . . . 0.0 110.703 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.434 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 2.1 tmt_? -139.31 133.64 31.47 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.1 171.81 23.2 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.77 -175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.1 m -149.06 144.39 26.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.01 127.06 23.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.165 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.3 139.5 39.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.4 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -156.67 -177.85 6.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.003 0.43 . . . . 0.0 111.049 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.475 HD12 ' HD2' ' A' ' 77' ' ' ARG . 90.0 mt -134.62 117.14 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.183 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.71 114.56 27.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.434 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -95.25 114.65 26.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.3 p90 -138.83 159.52 41.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.444 -177.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 50.0 ttp180 -90.32 120.03 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 98' ' ' ARG . 45.6 ttt-85 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 CA--C 1.533 0.439 0 N-CA-C 113.381 0.493 . . . . 0.0 113.381 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 36.6 mt-10 -77.44 121.61 24.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.773 173.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -110.59 141.59 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.951 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.3 p -118.81 111.86 18.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -100.33 128.27 46.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -104.94 103.82 13.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.41 174.08 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.374 0.607 . . . . 0.0 111.245 -177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -136.61 118.46 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.272 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.5 m -105.21 128.95 53.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.434 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.5 mp0 -95.62 141.14 29.48 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.703 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 75.9 m-85 -129.29 146.6 51.16 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -176.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -103.57 136.34 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.625 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -99.95 114.56 27.9 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.927 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.9 20.92 11.18 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.385 0.612 . . . . 0.0 109.794 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.24 51.76 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.27 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -88.62 144.1 26.51 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 79.0 m95 -92.76 128.6 38.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.688 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -122.12 144.14 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.024 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.84 124.73 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.4 m -98.21 -63.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.405 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.43 151.6 29.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.859 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.01 140.84 7.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.153 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -160.93 174.15 14.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.102 177.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.539 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -126.73 166.44 17.38 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 150.98 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.578 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.3 m -79.67 34.14 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.167 0.508 . . . . 0.0 111.066 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -158.71 159.63 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.89 79.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.603 0 O-C-N 123.767 0.667 . . . . 0.0 113.892 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' CYS . 20.0 m -161.86 120.51 2.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.52 58.0 1.62 Allowed Glycine 0 C--N 1.334 0.424 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.6 mmmt -143.31 172.03 13.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.404 0.681 . . . . 0.0 109.591 -169.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.6 p -78.47 -177.05 5.08 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 174.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -66.88 -55.98 12.31 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.61 -56.62 19.1 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.549 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.06 -23.46 65.47 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.859 0.361 . . . . 0.0 111.569 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.675 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 14.3 t -98.91 -84.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.872 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 55.2 m -73.67 -21.1 60.37 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -173.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -55.11 -55.22 29.29 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.696 -0.502 . . . . 0.0 114.15 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.611 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 20.2 Cg_endo -61.46 -30.04 86.09 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.463 2.109 . . . . 0.0 112.591 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.3 mm? -74.76 -51.33 14.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.119 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 38' ' ' ALA . 19.9 mt -67.3 -22.06 65.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.23 -6.14 54.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.751 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? 59.19 21.81 9.94 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.935 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 t -101.81 -30.3 11.36 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.611 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 75.5 ttt180 -127.27 140.42 52.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.724 0.297 . . . . 0.0 110.989 -176.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.9 m -82.81 140.69 32.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.313 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.05 74.69 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.633 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.57 14.78 7.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.056 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 t -160.3 141.95 9.3 Favored Pre-proline 0 C--O 1.235 0.336 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.36 -48.31 11.95 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.681 2.254 . . . . 0.0 111.764 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.505 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.8 pt-20 -63.97 -42.81 97.15 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.229 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.5 -34.71 72.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -75.09 -42.96 55.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.765 177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.509 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.4 OUTLIER -61.59 -52.33 64.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.97 -173.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -72.86 -21.85 60.87 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.96 -173.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 63.2 m -74.32 -39.24 63.0 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG3' HD13 ' A' ' 31' ' ' LEU . 12.5 mtm180 -65.54 -41.3 93.2 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.058 176.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 46.8 t80 -51.73 -41.93 61.9 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.775 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.52 88.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.587 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.1 -34.5 77.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.738 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.72 -45.54 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.057 0.456 . . . . 0.0 110.314 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.57 65.14 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.856 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.74 16.34 23.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.595 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.504 ' HB3' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.06 23.82 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.525 1.13 . . . . 0.0 113.475 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -85.27 67.03 10.01 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.6 p90 -70.91 -15.59 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.79 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 34.3 t70 -59.92 -49.13 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 63.4 t80 -57.43 -42.0 81.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.563 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 38' ' ' ALA . 40.2 mm -55.0 -58.69 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.858 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 44' ' ' PHE . 64.3 t -53.1 -46.42 54.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.179 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 49.2 mt-10 -57.78 -40.68 80.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.433 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -94.5 22.02 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.189 0.519 . . . . 0.0 111.429 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' ARG . 61.8 m -100.19 151.06 21.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.865 173.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 14.4 t70 -47.18 138.97 7.64 Favored Pre-proline 0 N--CA 1.465 0.284 0 O-C-N 123.874 0.734 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.14 -36.88 47.13 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.881 2.387 . . . . 0.0 112.277 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.29 -45.92 44.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.8 mmt180 -74.82 -25.11 58.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.321 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 56' ' ' ARG . 34.3 ttp180 -62.38 -30.64 71.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.652 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.81 -23.02 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.659 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.53 -14.38 43.19 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.314 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -79.33 152.4 30.48 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.45 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -140.6 142.96 35.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -52.25 -50.68 61.57 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.342 0.401 . . . . 0.0 111.81 -175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.24 -39.37 65.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.16 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.264 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 67' ' ' TRP . 93.2 m-20 -62.5 -35.86 80.72 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.329 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 38.3 ttm-85 -73.37 -35.29 65.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.514 176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.07 -41.25 34.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.343 -173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 64' ' ' ASN . 4.9 m-90 -60.68 -49.07 79.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.504 ' SD ' ' HB3' ' A' ' 42' ' ' LYS . 22.8 ptm -68.55 -27.0 65.69 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.987 0.422 . . . . 0.0 110.689 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 14.1 mm-40 -64.67 -31.64 72.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.173 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 13.4 pt-20 -110.71 -19.82 12.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.8 m -123.69 101.08 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.408 . . . . 0.0 110.797 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.7 t70 -75.4 110.9 10.15 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.698 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -72.97 114.41 11.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.701 0.286 . . . . 0.0 111.464 -173.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mp -92.62 -61.15 1.66 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -148.11 148.68 30.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.069 0.461 . . . . 0.0 111.121 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.483 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -114.48 131.37 56.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -132.5 105.54 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -76.55 140.47 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.455 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 91' ' ' GLU . 52.8 mt -102.06 -46.84 4.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.151 0.5 . . . . 0.0 110.199 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.98 162.73 32.83 Favored Glycine 0 CA--C 1.517 0.185 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.397 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.407 ' HB2' HG23 ' A' ' 90' ' ' VAL . 41.3 t -163.81 148.97 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.03 0.415 . . . . 0.0 110.562 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.1 m -153.89 130.46 10.67 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 34.3 tt0 -96.86 128.15 43.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 170.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -125.16 78.18 1.69 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.204 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.02 -79.21 0.1 Allowed Glycine 0 CA--C 1.521 0.441 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.344 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 11.0 p -124.74 -4.04 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.34 -177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -120.78 133.33 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.78 156.57 18.82 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.207 -0.521 . . . . 0.0 111.888 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.3 m -147.22 132.85 18.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 81' ' ' SER . 5.2 p -139.71 125.51 21.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.221 0.534 . . . . 0.0 111.378 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 79' ' ' LEU . 9.7 tp10 -92.44 132.3 36.89 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -151.61 170.4 19.77 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.66 0.743 . . . . 0.0 112.608 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.464 HG12 ' HB2' ' A' ' 107' ' ' HIS . 57.2 mt -132.82 119.65 38.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.422 -1.263 . . . . 0.0 109.21 173.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.54 114.38 28.36 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -95.0 118.3 31.58 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.135 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -139.03 151.73 47.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.59 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 9.3 ttp180 -89.38 107.29 18.98 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 102' ' ' PRO . 46.9 ttt85 -107.59 101.81 11.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.959 -174.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.99 -179.14 29.87 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.83 78.91 1.96 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.14 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.67 -67.25 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.709 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 48.8 Cg_endo -67.13 131.48 25.32 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.823 2.348 . . . . 0.0 113.82 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 34.0 mt-10 -97.57 113.53 25.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.358 173.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -105.57 149.0 26.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.9 p -125.23 118.8 26.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.121 0.486 . . . . 0.0 110.589 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -90.67 105.17 17.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.646 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.464 ' HB2' HG12 ' A' ' 93' ' ' ILE . 13.9 t-160 -97.97 119.09 35.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 24.4 pt-20 -162.45 172.23 15.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.091 0.472 . . . . 0.0 111.254 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.672 ' NH1' HG23 ' A' ' 127' ' ' VAL . 34.3 ttp180 -119.29 117.99 30.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.035 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.437 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 68.1 m -103.91 134.74 46.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.397 -177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -94.54 142.07 27.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.415 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.24 144.33 50.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.047 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -108.0 133.98 51.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.228 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 73.0 tttt -96.43 122.11 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 120' ' ' TYR . . . -131.06 122.47 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.479 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 116' ' ' ARG . 4.3 mmp_? 56.9 28.38 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.8 -20.39 45.51 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.087 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 151.57 21.28 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.423 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 75.2 m95 -98.65 135.61 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.91 0.386 . . . . 0.0 111.436 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 115' ' ' ALA . 91.2 m-85 -127.32 136.19 51.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -70.5 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.9 m -89.65 -52.69 4.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.87 165.13 3.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.633 0.254 . . . . 0.0 110.905 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -155.81 137.16 5.41 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.5 pt-20 -155.05 176.26 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.75 133.47 42.18 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.672 HG23 ' NH1' ' A' ' 109' ' ' ARG . 0.7 OUTLIER -52.53 123.5 3.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.524 179.554 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.999 178.444 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.522 ' O ' ' HA ' ' A' ' 10' ' ' THR . 62.7 mtt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -52.94 159.19 1.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.435 0.459 . . . . 0.0 111.609 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 7.3 t -87.48 145.97 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.002 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.87 -23.05 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.203 0.525 . . . . 0.0 111.127 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -96.72 157.05 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.76 81.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.585 0 O-C-N 123.792 0.683 . . . . 0.0 113.157 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' CYS . 25.2 m -163.81 115.4 1.38 Allowed 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.91 43.93 1.75 Allowed Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.426 -0.416 . . . . 0.0 112.743 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 17.0 mtmt -136.4 167.74 20.77 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 1' ' ' MET . 35.9 p -68.37 169.67 10.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.464 0.173 . . . . 0.0 110.96 -176.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -52.92 -57.38 10.48 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.1 -49.46 74.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.904 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.927 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 6.3 t -101.9 -80.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.835 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 m -73.58 -21.54 60.31 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.96 -55.34 18.84 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.047 -0.597 . . . . 0.0 114.255 -171.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HB2' ' CB ' ' A' ' 23' ' ' ARG . 52.5 Cg_endo -69.94 -25.83 27.34 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.09 1.86 . . . . 0.0 112.748 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.453 HD21 HH11 ' A' ' 23' ' ' ARG . 4.0 mm? -75.01 -45.16 43.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.988 0.423 . . . . 0.0 110.401 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 41' ' ' LEU . 2.4 mt -69.88 -22.02 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.985 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.24 -8.63 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.608 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 46' ' ' TYR . 1.7 mpp_? 61.97 17.67 9.19 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -92.15 -33.25 14.81 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.751 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 HH11 HD21 ' A' ' 18' ' ' LEU . 65.0 ttt-85 -105.89 130.82 53.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.577 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 12.2 p -84.88 125.14 32.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 173.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 30' ' ' ALA . . . -60.89 -24.5 66.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.55 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 68.36 -2.29 1.62 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -154.06 149.69 21.18 Favored Pre-proline 0 C--O 1.235 0.331 0 C-N-CA 121.955 0.102 . . . . 0.0 110.729 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' HB2' ' A' ' 112' ' ' PHE . 20.1 Cg_endo -59.08 -47.89 16.09 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 123.091 2.527 . . . . 0.0 112.569 -175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.8 pt-20 -60.01 -44.6 94.48 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.975 0.417 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HA ' HH11 ' A' ' 33' ' ' ARG . . . -62.79 -44.35 96.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.513 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.2 tm? -66.31 -35.24 79.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.947 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -62.02 -51.73 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.567 -177.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.96 -29.21 65.15 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.137 -173.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -70.38 -42.86 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -62.58 -51.22 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.718 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.46 -40.6 59.79 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.245 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.04 -37.82 69.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -66.37 -26.01 67.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.404 -177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -62.76 -37.94 88.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.069 0.461 . . . . 0.0 110.058 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.83 -18.48 50.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.017 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 19' ' ' LEU . 64.9 mt -105.25 20.04 19.55 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.776 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.55 23.08 0.07 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.431 1.092 . . . . 0.0 113.1 -178.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.0 t0 -95.74 70.03 2.96 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -68.6 -19.73 64.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.646 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.68 -39.91 80.36 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CD1' ' HD2' ' A' ' 21' ' ' ARG . 54.1 t80 -55.79 -36.31 67.27 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.157 0.503 . . . . 0.0 110.53 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 38' ' ' ALA . 23.1 mm -57.99 -56.3 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.191 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.504 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 16.6 t -57.69 -35.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.9 -48.01 83.45 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.109 0.48 . . . . 0.0 110.413 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 p -89.24 22.15 2.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.716 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -99.65 152.63 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.523 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 14.7 t70 -50.27 137.02 22.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 173.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.44 -33.39 92.04 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.89 2.394 . . . . 0.0 112.421 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -82.37 -43.06 17.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.292 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 122' ' ' SER . 31.2 mmt180 -67.96 -28.58 67.57 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 19.0 ttp180 -61.6 -17.45 55.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.9 -25.55 68.2 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.61 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.62 -15.42 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.822 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.79 94.32 9.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.85 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB2' HG23 ' A' ' 63' ' ' VAL . 12.1 m-20 -91.82 142.82 27.16 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -53.39 -41.35 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.87 -51.58 68.71 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.74 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 60' ' ' ASP . 94.3 t -58.1 -45.59 88.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.335 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.379 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 42.3 ttm105 -71.37 -39.64 71.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.979 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.97 -27.08 17.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.771 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -61.05 -55.89 27.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.898 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -70.36 -24.15 62.92 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.859 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.2 mm-40 -66.39 -39.53 89.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.45 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.73 -29.74 12.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.595 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.7 p -134.59 115.91 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.991 0.424 . . . . 0.0 111.419 -176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.58 116.01 19.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.324 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -71.5 114.08 9.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.967 0.413 . . . . 0.0 110.748 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.83 -59.57 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.802 -175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 31.3 tt0 -138.11 149.36 45.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.262 -169.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 tp -115.53 129.66 56.61 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.821 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 79.3 ttt180 -119.11 98.73 6.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.23 113.56 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.166 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 76.5 mt -83.46 -51.5 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -158.5 159.49 30.2 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.02 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -134.29 159.61 40.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.4 m -154.01 139.97 18.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.988 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.28 122.98 15.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.797 0.332 . . . . 0.0 110.257 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -113.88 49.88 0.96 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.268 0.556 . . . . 0.0 109.763 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.26 -82.89 0.54 Allowed Glycine 0 CA--C 1.519 0.337 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.759 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 p -86.97 -29.79 21.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.714 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.514 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.6 tmm_? -124.14 136.09 53.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.514 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -141.73 171.58 24.36 Favored Glycine 0 N--CA 1.452 -0.27 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -154.66 148.14 25.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.73 132.47 48.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -100.65 132.97 45.77 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.629 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -151.23 -178.25 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.136 0.493 . . . . 0.0 111.17 -175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.1 mt -134.49 116.92 22.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-N 115.023 -0.989 . . . . 0.0 108.795 174.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 116.71 27.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.518 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.5 ttm-85 -95.96 117.61 30.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.763 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -137.13 147.64 46.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.88 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 52.4 ttp180 -89.99 106.92 18.8 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 175.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -87.64 91.9 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.61 172.21 23.77 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -173.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -81.42 60.74 4.69 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.834 -177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 170.91 -75.7 0.1 Allowed Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.58 -0.819 . . . . 0.0 113.473 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.88 132.86 24.02 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 122.89 2.393 . . . . 0.0 113.711 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.0 mt-10 -84.51 154.99 22.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -151.94 149.63 29.14 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.5 p -134.38 144.92 48.5 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.608 0.242 . . . . 0.0 110.389 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -126.02 140.75 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -111.16 106.31 15.29 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.61 -179.75 5.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.555 0.693 . . . . 0.0 111.789 -175.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.623 ' HE ' ' NE2' ' A' ' 111' ' ' GLN . 43.0 ttp180 -136.59 109.04 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.751 -175.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 63.6 p -104.3 123.88 48.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.644 0.259 . . . . 0.0 110.972 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.623 ' NE2' ' HE ' ' A' ' 109' ' ' ARG . 0.8 OUTLIER -90.11 148.95 22.69 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 175.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 76.1 m-85 -130.1 147.54 51.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.415 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 56.6 ttt180 -120.97 131.76 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.756 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -94.99 129.86 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.954 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.85 133.03 20.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.962 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 61.73 25.72 15.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.84 -3.2 87.43 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.502 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 41.5 mtt180 -122.26 138.47 54.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -173.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -88.0 144.36 26.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.837 -174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.25 142.63 47.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.855 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -62.87 122.49 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.229 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.62 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 16.5 m -90.85 -52.87 4.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -173.51 157.92 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 110.897 -174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.54 134.03 6.06 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.182 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -145.03 156.02 43.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.39 145.52 54.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.644 0.259 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.531 HG22 ' HB2' ' A' ' 109' ' ' ARG . 85.8 t -80.03 104.98 8.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.176 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.487 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.502 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 91.8 m-20 -76.38 -178.59 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 0.0 110.499 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -110.14 145.29 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.996 -172.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.526 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.1 m -68.98 78.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 122.185 0.993 . . . . 0.0 109.994 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 76.2 m -165.85 146.0 6.54 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.758 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.21 73.2 0.09 OUTLIER Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.8 p -170.88 129.6 0.78 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.01 58.63 3.93 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 3.4 mmpt? -134.01 158.63 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 44.4 p -78.61 178.64 7.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.255 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -58.92 -53.42 58.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.81 -56.37 16.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.42 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.59 -26.46 61.53 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.521 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 10' ' ' THR . 7.8 t -101.5 -82.97 0.46 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.3 m -74.98 -21.75 58.96 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.47 -55.66 15.92 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.599 0.599 . . . . 0.0 114.599 -169.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.566 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 46.2 Cg_endo -68.48 -26.43 34.34 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.185 1.923 . . . . 0.0 112.255 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 4.0 mm? -75.24 -47.15 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.919 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.31 -34.57 77.64 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.243 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.51 65.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.698 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 65.45 16.95 10.77 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.683 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.4 t -90.81 -23.23 20.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.588 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 49.2 ttt180 -128.76 140.23 51.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.774 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -83.07 141.63 31.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.97 70.61 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.637 0.256 . . . . 0.0 111.603 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.69 8.29 5.1 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.483 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -161.19 145.31 10.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.26 -52.26 6.89 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.829 2.353 . . . . 0.0 112.734 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -67.15 -33.1 74.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.669 0.271 . . . . 0.0 110.972 -178.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -62.49 -29.37 70.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -81.47 -42.69 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.14 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.522 ' HE3' HG22 ' A' ' 78' ' ' VAL . 20.5 ptt? -69.04 -31.97 71.13 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.573 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -76.84 -26.15 54.0 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.826 -177.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 32.4 p -77.39 -46.25 23.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -55.41 -50.14 70.53 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.105 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -52.41 -45.89 66.09 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.689 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.62 -32.03 72.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.225 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -66.0 -38.2 87.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.775 0.321 . . . . 0.0 110.649 177.271 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.52 62.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.089 0.471 . . . . 0.0 110.514 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 92.2 mt -97.69 19.75 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.575 176.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 42.99 28.63 0.14 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.886 1.274 . . . . 0.0 113.541 177.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -103.16 85.92 2.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.448 0.642 . . . . 0.0 109.283 170.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 24.5 p90 -71.08 -11.63 61.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.195 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.23 -48.8 66.74 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.043 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.502 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 77.4 t80 -58.09 -34.02 69.73 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 39' ' ' TYR . 34.9 mm -54.55 -52.46 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.207 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.45 -42.15 86.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -77.87 -3.18 40.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.429 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 p -114.81 12.53 16.99 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.162 0.506 . . . . 0.0 110.656 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 55' ' ' ARG . 35.2 m -90.65 152.08 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.415 173.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.505 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -51.32 137.5 29.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.36 -30.81 27.95 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -82.41 -46.97 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.073 0.464 . . . . 0.0 110.504 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 122' ' ' SER . 28.0 mmt180 -68.84 -24.52 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.928 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -60.97 -25.23 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.46 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -64.36 -27.06 68.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.551 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -86.09 -11.77 51.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.816 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HD2' HD21 ' A' ' 64' ' ' ASN . 4.2 m-85 -89.74 170.74 10.17 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.288 -177.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.527 ' HB3' HG23 ' A' ' 63' ' ' VAL . 31.6 t70 -169.65 147.53 3.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.074 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -56.16 -41.1 74.89 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.24 -49.44 71.91 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.621 0.724 . . . . 0.0 110.395 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 60' ' ' ASP . 6.6 t -64.36 -44.72 97.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.74 -174.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.546 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 3.6 m-20 -61.6 -36.48 80.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.513 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.6 ttt180 -62.49 -49.34 75.76 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.284 177.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.01 -41.85 36.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.146 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -63.15 -51.13 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.537 ' HE2' ' HG3' ' A' ' 65' ' ' ARG . 21.0 ptt? -66.45 -22.36 66.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.723 0.297 . . . . 0.0 110.967 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 26.0 mm-40 -76.29 -39.14 55.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -86.83 -27.45 23.5 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.722 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 m -106.12 120.8 42.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 111.757 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 37.5 t70 -93.88 100.67 12.8 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -74.0 119.46 18.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -172.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -87.0 -64.98 1.06 Allowed 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.793 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -156.06 150.77 26.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 110.79 -174.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.8 tp -98.49 132.57 43.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.519 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.58 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 75.7 ttt180 -111.67 102.38 10.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 32' ' ' MET . 96.7 t -87.08 117.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 -176.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.3 mt -89.75 -56.15 3.35 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.836 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.61 158.88 27.37 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.267 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.4 p -142.48 159.72 41.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.836 0.351 . . . . 0.0 111.183 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.2 m -149.38 123.47 9.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.326 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' CZ2' ' A' ' 119' ' ' TRP . 41.0 tt0 -86.15 121.42 28.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -110.53 54.51 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.03 -104.86 1.03 Allowed Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.644 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.0 m -86.23 -0.36 55.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.045 0.45 . . . . 0.0 111.058 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -134.66 166.36 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.79 164.8 33.83 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.859 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.7 m -146.2 139.06 25.59 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.53 135.34 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' HG2' HD12 ' A' ' 79' ' ' LEU . 31.7 tt0 -107.0 132.11 53.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -151.93 175.02 12.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.285 0.564 . . . . 0.0 111.315 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 90.2 mt -132.81 115.4 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.408 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.34 111.81 22.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -95.4 117.24 30.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -139.97 171.75 13.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.6 ttp180 -120.06 121.89 39.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.055 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -86.03 137.46 32.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.36 -91.23 0.16 Allowed Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.334 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.75 46.13 0.21 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.249 -0.5 . . . . 0.0 111.885 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.79 -75.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.452 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.62 133.36 27.53 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.762 2.308 . . . . 0.0 112.765 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 44.5 mt-10 -87.29 171.05 10.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.027 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -161.84 148.67 14.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 0.0 108.572 170.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 15.7 p -127.68 111.73 14.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -88.76 107.64 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -93.89 101.08 13.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.088 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -126.15 158.02 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.413 0.625 . . . . 0.0 111.535 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -111.77 105.13 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.402 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 37.3 t -100.83 136.93 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.092 0.472 . . . . 0.0 111.331 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.39 139.23 36.36 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.769 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -124.54 142.42 51.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.305 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -109.64 138.02 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.984 0.421 . . . . 0.0 110.346 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -88.77 104.81 17.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.291 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -114.09 120.35 40.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.438 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 61.51 23.85 14.05 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.4 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.98 -14.01 66.29 Favored Glycine 0 CA--C 1.52 0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.181 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.513 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.8 mpt_? -98.23 149.03 23.01 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.41 ' CZ2' ' HG3' ' A' ' 83' ' ' GLU . 94.9 m95 -89.33 137.6 32.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 97.6 m-85 -134.93 141.68 46.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.226 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -67.05 114.31 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 36.8 m -91.49 -54.92 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.803 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -160.84 172.66 16.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.842 0.353 . . . . 0.0 110.781 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.25 151.79 16.48 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -158.93 152.34 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.858 0.329 . . . . 0.0 110.563 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.22 122.01 12.12 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.328 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.36 136.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.187 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.172 -179.087 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -105.49 -156.33 0.57 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.025 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t -143.35 149.04 37.18 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.546 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.6 m -69.66 76.53 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 122.146 0.974 . . . . 0.0 109.943 173.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 72.1 m -168.11 164.46 13.48 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.371 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.39 55.21 1.97 Allowed Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 166.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -154.91 118.37 4.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.26 -17.0 67.75 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.271 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 40.9 mtpt -59.92 161.09 6.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 111.215 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.609 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.8 p -74.57 177.31 6.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.019 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -54.7 -53.35 56.06 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -56.36 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.337 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -65.99 -18.86 65.62 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.643 -174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.0 t -105.27 -76.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.642 0.258 . . . . 0.0 111.424 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 50.4 m -74.09 -23.13 59.29 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -53.65 -55.34 25.73 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 121.125 -0.559 . . . . 0.0 114.139 -171.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 23.8 Cg_endo -62.93 -30.4 76.91 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.137 1.892 . . . . 0.0 112.377 -178.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.12 -52.13 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.78 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 15' ' ' CYS . 32.8 mt -69.52 -21.28 63.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.103 -177.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -82.53 -10.81 58.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.028 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.7 9.91 3.85 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.929 0.491 . . . . 0.0 111.49 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 20' ' ' ALA . 8.8 t -79.99 -16.75 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.9 ttm-85 -151.2 141.14 22.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.674 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -97.66 153.34 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.984 -176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.47 8.12 2.7 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.116 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -150.4 137.86 11.79 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.73 -44.01 34.29 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.652 2.235 . . . . 0.0 112.047 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 12.4 pt-20 -66.15 -43.69 86.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -67.06 -27.11 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.514 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD11 ' HD2' ' A' ' 35' ' ' ARG . 2.9 tm? -80.93 -41.12 23.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.885 -178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.708 -178.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.596 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.79 -23.18 49.23 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 -178.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 p -77.56 -44.05 29.79 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HD2' HD11 ' A' ' 31' ' ' LEU . 41.1 mtp180 -62.12 -38.76 90.13 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.503 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -50.93 -48.16 60.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.245 0.545 . . . . 0.0 110.254 175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -67.47 -39.23 85.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.961 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.9 81.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.169 0.509 . . . . 0.0 110.451 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.78 -37.45 79.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.803 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.84 -22.55 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.834 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.9 mt -94.79 20.07 9.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.924 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.446 ' O ' ' HE1' ' A' ' 68' ' ' MET . 0.0 OUTLIER 47.99 23.93 0.56 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.494 1.118 . . . . 0.0 112.9 178.08 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -101.38 78.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 39.3 p90 -68.26 -19.32 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.406 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 28.2 t70 -59.83 -45.63 91.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.05 -35.46 80.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.672 0.272 . . . . 0.0 110.375 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 39' ' ' TYR . 47.3 mm -56.29 -47.83 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.834 HG12 ' HE ' ' A' ' 56' ' ' ARG . 38.4 t -67.2 -36.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.389 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 48.1 mt-10 -61.85 -38.85 89.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.024 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -95.25 18.11 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.624 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 m -90.86 152.68 20.66 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' OD2' ' HD3' ' A' ' 113' ' ' ARG . 12.7 t70 -52.07 133.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 123.275 0.36 . . . . 0.0 110.376 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -41.34 -32.53 1.26 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.995 3.13 . . . . 0.0 112.532 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.01 -44.51 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.418 -176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' NH1' ' HB3' ' A' ' 123' ' ' GLU . 16.1 mmt85 -68.69 -23.61 64.41 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.942 0.401 . . . . 0.0 110.501 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.834 ' HE ' HG12 ' A' ' 48' ' ' VAL . 39.7 ttt180 -62.29 -28.85 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.964 -177.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.91 -25.86 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 mt -77.25 -18.08 57.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -78.43 165.46 23.77 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -147.65 136.29 21.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.557 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -58.17 -46.55 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.885 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.34 -51.84 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.688 0.28 . . . . 0.0 110.831 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.03 -40.43 87.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 44' ' ' PHE . 3.2 t-20 -62.86 -48.18 80.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.17 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.644 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 19.2 ttp180 -60.16 -48.63 80.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.79 -37.94 20.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.412 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -67.06 -51.79 50.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.067 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.2 ptt? -66.13 -20.0 66.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.573 -176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 15.7 mm-40 -68.98 -32.19 71.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.302 177.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -108.01 10.68 28.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.439 ' HB3' ' HA ' ' A' ' 68' ' ' MET . 47.0 t -121.41 84.13 2.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.145 0.497 . . . . 0.0 110.638 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 17.8 t0 -77.06 106.49 8.79 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.65 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -77.87 126.9 31.54 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.854 0.359 . . . . 0.0 111.693 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -106.48 -53.95 2.55 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.732 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -145.23 154.13 42.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.024 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -123.52 146.54 48.01 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 74.1 ttt180 -139.13 103.06 4.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.41 126.11 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.051 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 91' ' ' GLU . 78.1 mt -101.91 -53.04 3.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 110.934 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.16 159.8 29.34 Favored Glycine 0 C--O 1.23 -0.156 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.6 p -153.59 139.33 17.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.723 0.261 . . . . 0.0 110.46 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 m -148.79 129.72 14.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -101.39 117.72 35.52 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -112.82 73.21 0.8 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.81 -113.62 4.66 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.561 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 p -94.83 6.07 50.05 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.956 0.408 . . . . 0.0 111.398 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.58 140.57 31.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.29 174.4 21.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.074 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 HE21 ' A' ' 111' ' ' GLN . 83.2 m -152.62 145.45 24.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 32' ' ' MET . 6.3 p -141.99 134.11 27.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.11 0.481 . . . . 0.0 110.848 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' HG3' HD12 ' A' ' 79' ' ' LEU . 6.8 tp10 -100.65 125.6 47.07 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.929 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -146.97 172.55 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.122 0.487 . . . . 0.0 111.507 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 92.4 mt -133.86 108.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.493 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.98 113.21 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.446 HH21 ' CD ' ' A' ' 103' ' ' GLU . 35.3 ttt85 -94.7 117.93 30.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -131.61 -174.84 3.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.76 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 16.5 ttp180 -123.77 119.53 30.01 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -74.27 144.51 44.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.955 -173.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.27 81.71 0.02 OUTLIER Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.129 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.4 -29.98 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 149.38 -73.27 0.29 Allowed Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.885 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.8 159.75 51.63 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.879 2.386 . . . . 0.0 113.525 -173.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 35.6 mt-10 -75.05 166.49 23.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.34 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -157.39 145.87 19.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.614 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.9 p -102.17 148.63 25.18 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.222 0.534 . . . . 0.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 96' ' ' PHE . 4.6 t-80 -121.66 104.18 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.601 ' CE1' ' HA ' ' A' ' 128' ' ' ASP . 12.0 t-160 -121.79 114.75 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -174.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 1.5 pm0 -160.17 159.78 32.08 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.724 0.773 . . . . 0.0 112.152 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HG2' ' CG2' ' A' ' 89' ' ' THR . 28.5 ttp-105 -93.76 110.71 22.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.47 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.1 p -98.53 134.2 41.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 111.44 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.422 HE21 HG23 ' A' ' 89' ' ' THR . 2.2 mp0 -97.74 136.54 37.93 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.314 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -130.49 142.07 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.455 ' HD3' ' OD2' ' A' ' 52' ' ' ASP . 72.4 ttt180 -105.68 142.51 35.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.185 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -104.05 106.66 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.061 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -112.4 119.27 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.2 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 7.5 mpt_? 59.09 24.41 12.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.203 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.26 -12.81 69.02 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 113.053 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.6 mpt_? -93.22 147.16 23.14 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -99.19 135.29 40.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.16 148.44 52.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.745 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -72.16 123.8 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.856 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 m -101.38 -57.25 2.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.475 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 9.5 pt-20 -165.46 -176.86 4.17 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.733 -175.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -172.11 169.74 42.8 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -144.47 138.88 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.702 0.251 . . . . 0.0 110.328 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HA ' ' HB3' ' A' ' 108' ' ' GLU . . . -59.03 124.1 18.79 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.402 0.439 . . . . 0.0 110.385 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.2 t -139.02 150.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -173.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.601 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 8.4 m-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.588 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.611 ' HB3' HG22 ' A' ' 10' ' ' THR . 65.5 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.94 0.4 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -141.86 -171.41 3.34 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.463 -176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 3.3 t -150.96 143.82 24.53 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.3 m -72.6 65.89 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 0.0 110.596 176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 8.5 m -161.4 140.53 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.033 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.1 95.51 0.07 OUTLIER Glycine 0 C--N 1.332 0.335 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.1 p -171.64 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.715 0.293 . . . . 0.0 110.772 -174.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.41 8.97 87.4 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.34 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 25.6 mtmt -104.27 163.32 12.5 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 1' ' ' MET . 78.0 p -67.53 172.99 4.46 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.857 0.361 . . . . 0.0 111.373 -175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 51.5 t80 -60.91 -56.76 17.35 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.34 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -64.49 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.974 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.41 -56.86 11.45 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 109.946 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -73.66 -72.29 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.888 -176.155 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 52.3 m -73.63 -28.43 61.79 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.6 -55.19 14.36 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 114.689 0.636 . . . . 0.0 114.689 -169.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.96 -25.71 27.39 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.145 1.897 . . . . 0.0 112.666 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' OG ' ' A' ' 34' ' ' SER . 4.6 mm? -75.2 -51.66 12.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.473 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 46' ' ' TYR . 47.0 mt -63.39 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.645 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.45 -7.58 48.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 64.71 12.86 7.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.177 0.591 . . . . 0.0 111.642 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HB3' ' A' ' 20' ' ' ALA . 6.2 t -90.75 -27.39 18.96 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.954 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -109.47 133.53 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 110.997 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.1 p -90.92 124.77 35.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.153 172.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.76 53.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.85 12.01 2.82 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.961 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -158.13 131.18 4.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -55.95 -42.3 68.23 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.876 2.384 . . . . 0.0 111.958 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 7.3 pt-20 -61.43 -45.67 93.35 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.397 178.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -66.2 -34.29 77.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 tm? -64.18 -47.68 78.89 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 68.4 mmm -62.21 -47.88 82.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 176.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -57.4 -34.39 68.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.346 -178.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.486 ' OG ' ' HG ' ' A' ' 18' ' ' LEU . 28.1 m -78.12 -51.53 10.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.651 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HB2' HD13 ' A' ' 47' ' ' ILE . 14.6 ptt180 -72.56 -31.07 64.98 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.658 -172.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -53.81 -38.04 64.16 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.998 0.428 . . . . 0.0 110.488 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.664 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -64.03 -38.98 93.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.238 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 47' ' ' ILE . 2.4 m-30 -62.26 -47.37 84.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.013 0.435 . . . . 0.0 110.089 174.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.88 -25.6 65.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.281 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.9 mt -105.54 19.46 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.697 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.53 31.25 0.59 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.48 1.112 . . . . 0.0 113.745 176.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.57 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 29.6 t70 -102.43 79.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.9 p90 -71.31 -10.89 60.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.56 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.53 -55.52 21.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.944 175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.491 ' CG ' HD23 ' A' ' 19' ' ' LEU . 69.9 t80 -60.23 -32.27 70.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 35' ' ' ARG . 45.0 mm -61.76 -47.52 92.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.388 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 22.0 t -63.75 -35.13 71.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.768 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -77.22 -5.53 49.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.771 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.2 p -115.78 17.8 15.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.0 m -99.01 152.85 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.76 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.06 138.41 46.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.716 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -53.67 -28.06 44.91 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.88 2.387 . . . . 0.0 112.448 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.66 -52.24 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -65.01 -17.58 64.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.167 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HD2' HG12 ' A' ' 48' ' ' VAL . 21.9 ttp180 -62.72 -25.18 68.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.919 0.39 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.93 -29.95 70.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.28 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.6 mt -79.55 -8.27 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -89.66 124.52 34.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.49 147.9 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.78 -42.85 81.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.224 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -63.97 -55.11 24.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.435 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.27 -36.29 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.998 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.47 -46.59 87.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.156 0.503 . . . . 0.0 109.874 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 25.9 ttp-105 -67.47 -32.97 74.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.42 -33.06 19.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.184 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -65.91 -47.03 76.12 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.7 ptm -69.57 -24.21 63.67 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.974 0.416 . . . . 0.0 110.295 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.9 mm-40 -77.08 -37.9 53.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.61 -25.33 33.3 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.118 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.1 m -147.51 138.05 23.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.083 0.468 . . . . 0.0 111.379 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.28 103.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 98.8 m-85 -63.59 127.82 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 -177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.42 -53.66 2.64 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.62 -171.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.53 146.06 32.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 -169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 tp -118.3 148.65 42.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -142.17 109.5 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.077 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -84.17 122.62 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.8 mt -92.53 -51.36 5.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.204 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.85 161.0 28.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.131 -0.557 . . . . 0.0 111.957 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 p -159.15 145.46 16.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.803 -177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.5 m -148.15 130.52 15.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.243 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -106.45 114.98 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -110.18 68.55 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.269 0.556 . . . . 0.0 109.657 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.74 -105.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.599 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.0 m -92.9 -9.52 39.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.862 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -108.55 151.75 25.68 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.86 157.96 28.19 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.8 m -150.46 142.54 24.03 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -140.34 131.72 30.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.518 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -103.45 132.5 49.66 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -149.33 179.66 7.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.201 0.524 . . . . 0.0 111.694 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 106' ' ' HIS . 41.5 mt -134.96 119.88 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.197 176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.09 115.43 30.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -95.05 136.13 35.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.02 0.438 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.48 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -151.28 163.6 38.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.868 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 38.0 ttp180 -89.87 111.71 22.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -77.93 109.28 11.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.474 -172.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.94 -131.16 15.05 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.568 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.22 36.41 3.31 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 111.779 -0.529 . . . . 0.0 111.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -143.47 -107.06 0.58 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.701 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.49 168.17 23.18 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.845 2.363 . . . . 0.0 113.129 -173.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 42.7 mt-10 -87.01 164.72 16.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.922 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -158.49 148.22 19.54 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.8 p -128.76 124.32 35.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.811 0.339 . . . . 0.0 110.737 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 5.5 m-70 -84.46 144.97 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -126.92 99.87 5.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 0.5 OUTLIER -132.39 -177.26 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.748 -178.215 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -139.95 119.27 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.239 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.2 t -104.8 134.94 47.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.451 . . . . 0.0 110.914 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.68 140.77 31.58 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 90.7 m-85 -128.51 154.22 46.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 -176.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -112.44 136.05 52.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.577 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.4 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 66.4 tttt -95.38 106.04 18.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.85 124.8 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.383 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.28 21.17 12.32 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.369 0.604 . . . . 0.0 109.734 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.03 -13.87 65.86 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.998 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -96.07 149.35 21.7 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 89.0 m95 -93.38 130.31 39.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.677 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 91.4 m-85 -127.33 133.25 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.559 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -57.91 123.92 17.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.1 m -102.17 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.106 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -150.4 -175.58 5.14 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.435 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.0 151.64 5.83 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -156.27 178.89 9.79 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.54 126.26 25.8 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.27 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.417 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 10.3 p -77.16 149.28 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.681 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.213 179.46 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttp . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.704 0.288 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -89.51 -155.37 0.35 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.4 t -145.15 154.77 42.79 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.548 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 17.4 m -71.58 69.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-O 122.095 0.95 . . . . 0.0 109.993 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.791 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 35.0 m -166.4 119.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.072 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 76' ' ' LEU . . . -60.45 81.47 0.02 OUTLIER Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.877 175.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.421 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 13.4 m -148.86 -31.78 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.543 0.211 . . . . 0.0 111.494 -176.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 38.35 14.74 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.027 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 24.8 mmmt -124.93 152.07 44.59 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.8 p -69.54 174.53 4.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.354 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -61.31 -49.31 77.52 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.04 -57.51 8.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.474 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.62 -24.29 67.5 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.581 -174.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 29.6 t -95.82 -87.97 0.28 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.399 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 68.0 m -75.04 -21.26 59.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -174.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.12 13.74 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 -167.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 34.5 Cg_endo -68.12 -26.31 36.73 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.831 1.687 . . . . 0.0 112.488 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.95 -51.88 11.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.4 mt -72.22 -21.28 61.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.85 -5.56 48.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.453 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? 57.18 21.45 6.55 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -97.42 -19.17 18.63 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 35.2 ttm180 -139.44 140.51 37.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.716 0.293 . . . . 0.0 111.048 -177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.5 p -90.98 131.38 36.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -54.8 -32.36 60.15 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.37 10.94 4.22 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.816 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 42.3 t -149.19 134.01 9.25 Favored Pre-proline 0 C--O 1.236 0.343 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.21 -49.17 14.79 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.839 2.359 . . . . 0.0 112.357 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 15.0 pt-20 -69.09 -42.42 76.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.801 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -61.59 -34.29 75.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.396 0.617 . . . . 0.0 110.472 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.81 -43.91 43.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.232 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 32' ' ' MET . 14.8 tmm? -61.94 -50.36 72.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.808 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.35 -22.77 63.72 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.657 -175.374 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.5 m -77.47 -36.04 53.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 109.817 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 35' ' ' ARG . 24.5 ttt-85 -66.35 -41.45 89.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.119 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -53.99 -45.42 71.44 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.726 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.791 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.96 -34.4 76.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.306 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.36 -31.72 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.732 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 6.1 m-85 -67.66 -44.37 78.03 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.9 0.381 . . . . 0.0 110.515 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -33.27 75.03 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.382 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 88.3 mt -90.05 14.18 12.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.382 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.525 ' HD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 40.69 34.64 0.26 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.55 1.14 . . . . 0.0 113.346 178.092 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -102.92 74.77 1.34 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 170.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.651 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 49.1 p90 -71.76 -10.99 60.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.36 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.09 -50.52 73.39 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.18 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -55.55 -34.35 64.66 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.48 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.1 mm -62.61 -54.08 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.391 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.1 -45.28 80.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.734 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.36 -38.61 77.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.293 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 p -90.11 19.77 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.546 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -101.54 147.71 26.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.742 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 13.0 t70 -50.63 137.42 24.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.636 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.85 -40.39 48.43 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.982 2.454 . . . . 0.0 112.668 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.5 -37.08 44.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.162 -177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 11.1 mmt85 -79.05 -24.1 43.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 110.024 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -66.12 -25.06 66.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.068 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.49 -30.11 69.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.154 0.502 . . . . 0.0 110.315 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.0 mt -74.41 -23.13 58.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -72.01 98.5 2.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -88.22 150.03 23.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.664 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -58.65 -52.6 65.01 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.24 -45.34 85.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.81 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.651 ' ND2' ' HB2' ' A' ' 44' ' ' PHE . 66.3 t30 -65.05 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.85 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 68' ' ' MET . 17.2 ttt180 -73.52 -39.53 64.72 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.452 174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.12 -41.4 35.93 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.036 -174.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.64 -49.11 78.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.628 ' HB3' ' HD2' ' A' ' 39' ' ' TYR . 27.4 ptt? -71.32 -19.52 62.3 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 19.6 mm-40 -75.27 -42.68 54.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -84.72 -20.66 30.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.814 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.3 m -114.72 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.64 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 30.1 t70 -77.44 89.96 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.474 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.6 m-85 -58.62 128.93 39.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.172 0.51 . . . . 0.0 111.948 -172.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 mt -111.66 -50.34 2.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -161.29 151.22 17.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' HB3' ' H ' ' A' ' 6' ' ' GLY . 57.9 tp -107.42 140.6 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.071 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -128.87 99.72 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -81.47 121.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.332 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.538 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.6 mt -85.76 -49.6 7.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.964 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.33 168.8 41.44 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.44 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' VAL . 79.5 p -157.56 152.88 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.724 0.297 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.7 m -146.33 135.14 22.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.147 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.97 115.18 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.23 81.66 1.54 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 -178.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.17 -111.41 4.08 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.359 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.9 m -98.49 -0.64 43.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 110.664 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -104.93 132.58 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.95 144.48 16.44 Favored Glycine 0 CA--C 1.508 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.792 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -137.45 134.79 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.585 0.193 . . . . 0.0 110.558 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.5 p -139.05 121.85 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.225 0.535 . . . . 0.0 110.288 175.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.538 ' HG2' HD12 ' A' ' 79' ' ' LEU . 39.7 tt0 -102.05 134.32 45.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.805 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -155.28 -179.23 7.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.852 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.7 mt -133.5 118.06 29.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.706 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.2 111.34 22.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.848 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -95.03 119.78 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.6 p90 -144.23 155.23 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 110.918 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 17.3 ttp180 -90.12 126.76 35.91 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 27.2 tpt180 -69.8 101.35 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.57 -88.28 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.638 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.21 25.68 1.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.34 -105.47 2.45 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.766 -178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 89.2 Cg_endo -80.04 139.35 13.5 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.791 2.328 . . . . 0.0 113.164 -172.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.81 105.86 11.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.274 0.559 . . . . 0.0 109.523 174.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -110.0 155.04 22.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.843 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 114.79 18.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 111.06 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.74 130.44 42.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.617 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -113.86 118.84 35.36 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.86 169.08 17.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.564 0.697 . . . . 0.0 111.564 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.406 HH21 ' CD ' ' A' ' 125' ' ' GLU . 50.4 ttp180 -126.95 103.76 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.713 -1.13 . . . . 0.0 108.347 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.3 m -92.72 125.06 37.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.948 0.404 . . . . 0.0 110.899 -174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.611 ' N ' HE21 ' A' ' 111' ' ' GLN . 0.0 OUTLIER -104.23 132.78 50.12 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.809 175.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -113.87 139.28 49.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.861 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 52' ' ' ASP . 34.8 ttp180 -103.9 127.71 51.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -80.42 106.1 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.86 126.55 55.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.156 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 61.1 23.45 13.64 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -10.06 74.25 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.4 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 1.5 mpt_? -105.5 152.99 22.34 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -90.23 136.04 33.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.452 ' HB3' ' HA ' ' A' ' 52' ' ' ASP . 87.4 m-85 -128.57 131.15 48.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.462 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.66 118.4 6.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.812 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.6 m -104.0 -47.72 4.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.911 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.81 132.8 15.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 111.365 -175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.41 81.75 0.34 Allowed Glycine 0 C--N 1.332 0.346 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.479 ' HG3' HG13 ' A' ' 127' ' ' VAL . 16.4 pt-20 -80.42 134.8 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.735 0.302 . . . . 0.0 111.078 -174.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.33 104.3 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.366 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.479 HG13 ' HG3' ' A' ' 125' ' ' GLU . 27.3 m -110.43 155.54 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.779 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.615 178.04 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -85.3 134.44 34.12 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 2.5 t -83.12 132.63 35.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.163 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.5 m -66.31 77.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 122.001 0.905 . . . . 0.0 110.246 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 59.8 m -164.41 138.83 5.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.03 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.16 86.26 0.01 OUTLIER Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 171.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -175.65 -46.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.156 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.31 -10.49 73.02 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.734 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 25.3 mtmt -70.94 171.21 11.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.351 0.12 . . . . 0.0 110.745 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 52.9 p -73.22 172.28 11.42 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.702 0.287 . . . . 0.0 110.984 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.18 -53.97 52.09 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.75 -56.59 17.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.663 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -56.68 -32.29 65.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.384 0.611 . . . . 0.0 110.832 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.6 t -97.84 -79.96 0.46 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.856 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 57.2 m -74.09 -23.5 59.34 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.59 14.21 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 114.553 0.581 . . . . 0.0 114.553 -168.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.572 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 42.3 Cg_endo -70.79 -26.6 22.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.04 1.827 . . . . 0.0 112.724 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 25' ' ' ALA . 3.6 mm? -75.97 -47.15 26.16 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.465 -177.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD23 ' CG ' ' A' ' 46' ' ' TYR . 15.6 mt -62.15 -31.25 71.71 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.07 -16.78 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.095 0.474 . . . . 0.0 110.614 175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? 63.94 13.39 7.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.38 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -68.06 -31.49 71.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.121 0.486 . . . . 0.0 110.391 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 64.4 ttt180 -121.37 131.28 54.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.659 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 m -86.17 118.83 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.989 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.01 -38.52 57.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.569 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.28 12.8 5.45 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.948 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -145.78 131.27 9.29 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.83 -52.82 7.59 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.974 2.45 . . . . 0.0 112.541 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 4.5 pt-20 -66.93 -37.84 85.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.983 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -59.63 -40.12 86.57 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.22 0.533 . . . . 0.0 110.714 -178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.88 -44.88 46.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.758 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -61.78 -49.27 77.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.991 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -68.17 -27.05 66.08 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.789 -176.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -76.94 -34.26 57.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 175.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -64.93 -45.77 84.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.82 -44.04 66.38 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.43 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.789 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -55.58 -35.08 65.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.043 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -61.2 -36.46 79.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.731 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.49 -41.68 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.74 65.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.977 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -96.74 20.17 11.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.97 21.98 0.35 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.467 1.107 . . . . 0.0 113.388 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 15.7 m-20 -96.24 57.36 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 169.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HZ ' HH21 ' A' ' 65' ' ' ARG . 46.8 p90 -69.22 -14.03 62.73 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.697 -172.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.98 -36.05 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.23 0.538 . . . . 0.0 109.919 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CG ' HD23 ' A' ' 19' ' ' LEU . 60.8 t80 -64.13 -32.42 73.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.745 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.5 mm -56.68 -43.04 78.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 109.944 177.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.81 -44.09 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.818 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.51 -27.64 57.89 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.584 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 p -104.62 22.74 14.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.668 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 34.4 m -99.73 150.02 22.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 7.1 t70 -49.25 131.7 17.0 Favored Pre-proline 0 N--CA 1.466 0.327 0 O-C-N 123.43 0.456 . . . . 0.0 110.199 -178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.46 -19.39 17.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.425 2.083 . . . . 0.0 111.917 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.31 -32.58 14.95 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 122' ' ' SER . 14.1 mmt85 -92.46 -15.53 27.0 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.723 0.297 . . . . 0.0 111.161 -177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 9.4 ttp180 -63.78 -21.18 66.29 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.93 0.395 . . . . 0.0 111.256 -172.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.25 -29.41 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.49 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.1 mp -83.29 -1.74 53.96 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.211 -178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -95.4 128.26 42.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 111.355 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -122.7 145.24 48.57 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.873 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.01 -48.21 82.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.047 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.49 -46.3 90.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.377 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.85 -51.47 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -58.96 -39.29 81.24 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.202 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 15.0 ttm180 -61.08 -47.72 85.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.333 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -51.04 -42.45 60.5 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 -178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -59.88 -48.87 79.94 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.238 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 ptm -71.87 -19.71 61.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.763 0.316 . . . . 0.0 111.11 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.1 mm-40 -78.52 -42.9 28.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.628 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.0 pt-20 -78.97 -23.85 44.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 110.978 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -134.5 108.5 8.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -78.95 114.92 18.29 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -76.62 116.26 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -99.53 -44.54 6.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 35.1 tt0 -142.72 142.26 31.94 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 111.534 -170.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.8 tp -111.37 134.49 52.91 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -125.65 98.71 5.68 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.0 118.59 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HG2' ' A' ' 91' ' ' GLU . 79.0 mt -89.28 -50.64 6.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.05 -176.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.39 159.42 32.72 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.6 p -141.21 156.81 45.87 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.774 0.287 . . . . 0.0 110.725 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.7 m -152.98 119.67 5.67 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.418 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 31.8 tt0 -102.45 116.0 31.72 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -114.81 82.06 1.67 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.224 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.02 -75.86 0.59 Allowed Glycine 0 CA--C 1.521 0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.813 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.3 m -137.09 -17.85 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -95.83 133.05 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.72 164.36 25.74 Favored Glycine 0 CA--C 1.506 -0.517 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.375 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.432 HG23 HE21 ' A' ' 111' ' ' GLN . 90.2 m -151.03 140.48 21.49 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.5 124.48 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.516 ' HG2' HD12 ' A' ' 79' ' ' LEU . 35.2 tt0 -97.48 133.87 41.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.494 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -148.99 169.26 21.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.344 0.592 . . . . 0.0 111.231 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -124.52 115.42 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.926 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.0 117.82 30.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.09 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 6.1 ttm180 -94.76 126.22 39.93 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -141.15 152.91 45.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.0 ttp85 -89.33 112.44 23.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -72.87 112.71 9.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.068 -175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.0 -100.41 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.307 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -149.73 46.34 0.65 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -147.27 -101.55 0.28 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.904 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.16 160.85 15.43 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.839 2.359 . . . . 0.0 113.15 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -94.24 111.63 23.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.397 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -101.36 147.09 26.73 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.4 p -115.81 143.91 44.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.98 0.419 . . . . 0.0 111.248 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -119.4 106.31 12.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.711 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.53 104.92 17.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 125' ' ' GLU . 27.4 tt0 -131.94 145.95 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 0.0 111.274 -176.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 91' ' ' GLU . 37.2 ttp180 -114.79 101.65 9.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.738 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.0 m -95.84 140.11 31.09 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.328 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.432 HE21 HG23 ' A' ' 89' ' ' THR . 2.3 mp0 -95.23 140.43 30.15 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.748 175.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.404 ' HB3' ' HE3' ' A' ' 119' ' ' TRP . 49.2 m-85 -126.91 157.54 39.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.948 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -120.6 134.74 55.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.103 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -92.89 106.54 18.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.244 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 127.13 48.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.22 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 61.04 20.52 10.95 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 121.36 0.6 . . . . 0.0 110.522 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.21 64.73 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.766 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.473 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 2.5 mpt_? -89.98 157.33 17.88 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.453 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 72.8 m95 -104.83 127.7 52.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.04 0.448 . . . . 0.0 110.576 175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 118' ' ' ARG . 99.0 m-85 -121.43 140.42 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.022 -177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 34.3 t80 -66.02 121.41 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.082 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 31.0 m -97.18 -50.6 4.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.0 110.546 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -166.1 171.63 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.18 170.23 39.34 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 12.9 pt-20 -172.81 153.75 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.252 0.221 . . . . 0.0 110.473 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.91 107.86 0.58 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.128 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.01 129.62 37.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.725 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.284 179.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -107.68 169.68 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.0 t -86.27 131.51 34.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.6 m -61.01 81.59 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 122.06 0.933 . . . . 0.0 110.075 173.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.777 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 75.1 m -167.43 168.4 13.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.878 -175.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.77 3.26 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -158.89 116.26 2.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.42 -2.66 43.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 121.353 -0.451 . . . . 0.0 113.004 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -71.41 166.85 20.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.829 0.347 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 72.1 p -71.82 -179.65 2.77 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.32 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 68.1 t80 -59.77 -50.92 71.94 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.793 172.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.24 -57.01 10.71 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.205 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.43 -33.09 67.55 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.24 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.48 -77.63 0.47 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.828 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.5 m -73.94 -21.77 59.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.84 -54.68 17.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.666 -0.519 . . . . 0.0 114.333 -170.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 37.7 Cg_endo -67.8 -28.83 36.17 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.443 2.095 . . . . 0.0 112.932 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.7 mm? -75.47 -51.16 13.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.863 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 15' ' ' CYS . 11.8 mt -69.24 -21.56 63.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -71.84 -10.88 60.41 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.658 175.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 65.6 8.97 5.51 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.125 0.57 . . . . 0.0 111.403 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.3 t -93.48 -41.46 9.77 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 73.1 ttt180 -106.24 143.13 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.276 -175.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 p -90.4 134.66 34.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.236 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.34 70.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 111.035 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.66 5.36 3.84 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.096 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -151.75 138.53 11.98 Favored Pre-proline 0 C--O 1.235 0.316 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.99 -43.79 40.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.558 2.172 . . . . 0.0 111.697 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 7.1 pt-20 -67.69 -38.67 84.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.465 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -64.71 -26.96 68.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.015 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.09 -50.5 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.357 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.613 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -61.43 -38.82 88.56 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -170.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.613 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -75.45 -26.28 58.14 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.779 -176.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -76.25 -39.98 53.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -59.48 -44.48 93.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.832 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -54.2 -46.35 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.139 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.02 -41.21 91.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.53 -30.92 71.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.42 -35.04 58.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.941 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.797 174.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -86.98 17.79 3.93 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.443 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.87 24.21 0.1 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.77 1.228 . . . . 0.0 113.608 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -87.03 68.96 10.19 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 172.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 39.9 p90 -64.6 -12.58 46.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.364 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.528 ' O ' HG12 ' A' ' 48' ' ' VAL . 28.5 t70 -69.1 -45.89 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.77 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.11 -32.31 72.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.344 0.592 . . . . 0.0 109.637 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG13 ' CD1' ' A' ' 39' ' ' TYR . 40.0 mm -63.46 -53.63 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.618 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 45' ' ' ASP . 12.9 p -61.18 -34.62 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.767 0.318 . . . . 0.0 110.28 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -64.05 -38.93 92.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.642 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -91.66 18.91 6.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.4 m -99.27 152.39 19.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.554 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.0 t70 -49.56 135.4 18.42 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 122.929 0.491 . . . . 0.0 110.28 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.74 -31.38 41.28 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.764 2.309 . . . . 0.0 112.143 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -78.72 -41.04 31.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.058 0.456 . . . . 0.0 110.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 122' ' ' SER . 34.3 mmt180 -76.42 -25.3 54.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.925 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.516 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.7 ttp180 -60.53 -22.0 63.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.102 0.477 . . . . 0.0 110.46 -177.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.56 -43.31 94.34 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.359 174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 58' ' ' LEU . 3.3 mp -88.05 -16.71 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.94 77.45 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.076 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.625 ' HB2' HG23 ' A' ' 63' ' ' VAL . 11.5 m-20 -71.38 139.56 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' NE2' HG11 ' A' ' 48' ' ' VAL . 76.4 m80 -53.65 -39.48 65.06 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.46 172.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.86 -49.79 73.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.276 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' A' ' 60' ' ' ASP . 61.4 t -61.07 -37.79 78.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.049 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.9 -45.23 90.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.256 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 15.4 ttm180 -58.98 -55.78 30.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.94 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.72 53.03 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 63.8 t-105 -68.37 -48.14 65.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.973 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.9 ptt? -64.86 -23.95 67.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.379 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.7 mt-10 -75.31 -44.38 45.75 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.251 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 12.1 pt-20 -80.57 5.46 15.32 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.731 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.6 p -158.07 110.14 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -84.43 102.3 12.68 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.4 m-85 -64.19 120.93 13.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 111.284 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.8 mt -104.41 -55.07 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.042 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.0 tt0 -147.21 134.34 20.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.015 -170.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -102.82 140.32 37.25 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -135.69 103.65 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 109.948 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.92 136.67 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.991 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.3 mt -111.91 -52.35 2.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.748 0.309 . . . . 0.0 110.589 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.0 160.3 28.99 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 90' ' ' VAL . 26.3 p -163.95 143.2 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.76 0.28 . . . . 0.0 110.957 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 m -150.76 131.67 14.21 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.573 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -95.99 114.72 26.46 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.64 58.91 0.79 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.189 0.519 . . . . 0.0 109.665 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.6 -99.93 0.63 Allowed Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.46 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 m -91.4 -16.92 26.63 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.791 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.24 148.42 26.99 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.73 151.3 22.65 Favored Glycine 0 CA--C 1.507 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.761 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.9 m -140.89 128.35 21.26 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 81' ' ' SER . 3.7 p -138.24 125.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.006 0.432 . . . . 0.0 110.06 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.18 132.63 52.83 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -153.6 -178.23 6.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.973 -175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.86 118.09 50.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.874 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.75 109.3 20.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.781 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.569 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 64.5 ttt180 -95.19 113.89 25.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -137.44 162.29 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.608 -178.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 74.0 ttt180 -89.95 121.45 32.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -70.92 132.46 45.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.525 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.97 77.91 0.03 OUTLIER Glycine 0 C--N 1.335 0.499 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.55 -29.17 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 -176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.82 -97.9 0.12 Allowed Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.297 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -80.16 -174.63 2.34 Favored 'Trans proline' 0 C--O 1.238 0.487 0 C-N-CA 123.333 2.688 . . . . 0.0 113.88 -172.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 47.3 mt-10 -74.07 160.85 30.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.053 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -147.59 139.78 24.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -110.82 112.37 24.18 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.614 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -103.11 132.81 49.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -126.18 115.36 19.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.687 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.408 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 1.2 pm0 -129.17 171.71 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.439 0.638 . . . . 0.0 111.512 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 109' ' ' ARG . 33.8 ttp180 -127.79 101.46 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.178 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.498 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 42.9 m -97.46 128.7 44.45 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.093 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -91.35 143.99 26.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.747 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -129.69 156.68 43.88 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.291 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' A' ' 113' ' ' ARG . 32.4 ttt85 -118.98 137.56 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.057 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 72.9 tttt -102.79 118.67 37.35 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.09 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -134.95 127.31 30.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.853 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 64.29 15.38 9.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.66 71.57 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.353 -0.451 . . . . 0.0 112.133 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 2.3 mpt_? -93.94 138.87 31.59 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 88.6 m95 -94.23 140.28 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.989 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.16 133.07 47.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.976 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.91 116.39 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.678 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.554 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 47.6 m -91.81 -45.68 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -173.25 167.25 4.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -154.09 112.7 0.54 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.993 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.95 128.98 38.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 110.363 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.22 106.65 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.904 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.408 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 56.7 t -86.81 120.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.915 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.295 -176.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.683 0.278 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 35.5 p30 -106.62 -169.8 1.62 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.988 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 35.8 t -126.98 147.35 50.12 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.99 38.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.059 0.457 . . . . 0.0 110.912 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.736 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -168.62 105.7 0.44 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.652 -177.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.69 -93.4 0.01 OUTLIER Glycine 0 C--N 1.335 0.478 0 O-C-N 123.682 0.614 . . . . 0.0 114.078 172.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m -52.19 126.78 19.85 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.117 0.567 . . . . 0.0 111.805 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 2' ' ' ASN . . . -77.88 10.34 26.33 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.96 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.6 mtmt -75.04 159.82 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 73.9 p -63.63 -178.12 0.27 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.427 0.632 . . . . 0.0 111.966 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.41 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.367 174.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.514 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 5.0 p-10 -72.94 -44.8 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.409 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.26 -34.4 70.44 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.777 0.322 . . . . 0.0 111.116 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 7.8 t -97.85 -80.59 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.622 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 m -73.53 -20.7 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -51.66 -55.18 21.47 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 -170.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 26.1 Cg_endo -63.46 -29.39 71.29 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.095 1.863 . . . . 0.0 112.274 -178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.494 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.2 mm? -75.33 -51.31 13.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 ' CG ' ' A' ' 46' ' ' TYR . 18.9 mt -62.36 -32.57 73.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.979 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.25 -8.41 57.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 59.43 19.1 7.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 t -93.86 -11.04 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.141 -174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.537 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 74.2 ttt180 -143.79 144.3 31.74 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.25 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 118' ' ' ARG . 25.3 p -85.98 137.41 32.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.295 175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.04 68.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.723 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.4 6.58 3.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.285 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.6 m -160.36 143.64 10.1 Favored Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 122.454 0.301 . . . . 0.0 110.346 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.94 -51.02 8.7 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.081 2.521 . . . . 0.0 112.636 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 6.7 pt-20 -60.45 -43.58 96.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.015 0.436 . . . . 0.0 110.653 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -60.75 -35.03 75.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.74 -177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD13 ' HG3' ' A' ' 35' ' ' ARG . 3.3 tm? -74.28 -51.23 15.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.525 ' SD ' ' HZ ' ' A' ' 112' ' ' PHE . 13.0 tpt -60.45 -49.68 76.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.932 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.736 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -65.96 -25.8 67.28 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.454 -175.491 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -72.81 -39.25 66.79 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 21.9 mtm180 -61.85 -43.37 98.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.659 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -51.99 -42.01 62.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.934 0.397 . . . . 0.0 110.833 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.64 87.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.627 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.62 -37.44 87.33 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.755 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' HG13 ' A' ' 47' ' ' ILE . 14.3 m-85 -59.42 -47.93 83.57 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.006 0.431 . . . . 0.0 110.134 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.05 66.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.917 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.0 19.3 13.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.417 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.22 12.89 0.15 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.788 1.235 . . . . 0.0 113.634 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 12.4 t70 -95.0 73.06 3.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.342 0.591 . . . . 0.0 109.639 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 44.5 p90 -71.97 -10.7 60.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.201 177.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -54.83 -53.96 48.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.348 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CG ' HD23 ' A' ' 19' ' ' LEU . 32.0 t80 -56.39 -38.74 71.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.944 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' ALA . 45.7 mm -57.95 -52.16 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.46 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' PHE . 44.3 t -57.47 -38.41 63.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.439 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -68.54 -26.79 65.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.568 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -102.36 22.1 13.96 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.986 0.422 . . . . 0.0 111.329 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.6 m -99.7 153.83 18.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 172.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' OD1' ' HD3' ' A' ' 113' ' ' ARG . 26.9 t70 -49.27 137.94 14.97 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.577 175.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.39 -27.22 57.19 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.975 2.45 . . . . 0.0 112.664 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -93.61 -47.24 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.462 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 52' ' ' ASP . 9.0 mmt85 -64.55 -26.77 68.56 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.122 0.487 . . . . 0.0 110.308 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 55.0 ttp180 -60.79 -33.06 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.331 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.91 -23.15 65.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.4 -11.28 43.64 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.317 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 2.3 m-85 -78.31 147.2 34.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.201 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -126.65 146.48 50.17 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.346 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -64.95 -34.63 78.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 -51.19 68.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.216 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.64 -52.45 60.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 84.4 m-20 -58.34 -37.31 74.91 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.165 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.544 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 44.2 ttm-85 -66.5 -50.63 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.275 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -49.11 -41.62 36.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.634 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -51.73 -56.9 11.08 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.834 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 ptm -64.08 -27.54 69.17 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.696 0.284 . . . . 0.0 111.054 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 22.8 mt-10 -81.31 -47.35 13.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.143 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 13.4 pt-20 -89.63 -9.08 50.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.217 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.0 m -136.8 110.08 7.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.615 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 36.4 t70 -79.59 108.77 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.724 176.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -71.62 118.4 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.186 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.578 HD21 ' NH2' ' A' ' 97' ' ' ARG . 10.8 mp -92.17 -62.61 1.37 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -154.53 149.57 26.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.84 -169.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -110.66 141.75 43.48 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.1 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -132.82 98.87 4.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.39 127.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.86 -56.06 3.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.756 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.48 171.36 36.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.12 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.4 p -150.23 151.08 32.45 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.9 m -140.56 119.52 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.647 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -110.42 115.33 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.97 50.59 0.79 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.15 -114.28 4.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 p -80.8 -23.05 39.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.543 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 1.5 mmp_? -93.03 133.07 36.54 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 137.57 5.93 Favored Glycine 0 CA--C 1.509 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.674 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.432 ' CG2' ' HG2' ' A' ' 109' ' ' ARG . 24.6 m -129.25 148.32 51.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.98 136.01 50.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.247 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HB2' ' NH1' ' A' ' 109' ' ' ARG . 36.0 tt0 -107.43 132.27 53.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -148.73 177.07 9.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 111.484 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 105' ' ' SER . 60.8 mt -133.67 110.78 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.344 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.03 112.03 23.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.94 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -94.46 113.38 25.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.863 0.364 . . . . 0.0 110.14 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -134.08 170.66 15.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.925 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.578 ' NH2' HD21 ' A' ' 74' ' ' LEU . 45.2 ttm105 -114.89 110.92 20.39 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -76.11 135.2 39.84 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.416 -174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.08 -92.1 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.914 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.56 32.98 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.59 -80.96 0.03 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.536 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.19 130.99 17.18 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.663 2.242 . . . . 0.0 112.92 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 56.6 mt-10 -87.65 144.47 26.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.7 173.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -137.41 145.45 43.22 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' ' 93' ' ' ILE . 25.2 p -109.58 111.39 22.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.837 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 19.7 t-160 -83.11 103.78 12.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -103.82 104.35 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.897 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -136.12 -176.18 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.446 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.477 ' NH1' ' HB2' ' A' ' 91' ' ' GLU . 56.3 ttt85 -136.15 101.86 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 25.1 m -92.99 134.03 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.389 -173.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -96.64 143.59 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.525 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 86.7 m-85 -129.29 153.58 47.68 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.668 -176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HD3' ' OD1' ' A' ' 52' ' ' ASP . 59.7 ttt180 -121.3 126.81 50.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.126 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -83.65 105.64 14.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -111.55 115.84 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.31 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 56.49 44.38 24.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.348 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.37 -20.11 28.3 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.405 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 33.1 mtt180 -107.93 133.66 51.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.573 0.225 . . . . 0.0 110.419 -171.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -81.39 133.42 35.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -132.33 151.86 51.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.02 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -68.54 130.28 42.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.03 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -101.31 -56.58 2.27 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.107 0.48 . . . . 0.0 110.48 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.17 171.68 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.934 -174.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -150.16 126.95 2.28 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -127.4 148.44 50.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.88 111.78 10.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.935 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.47 141.73 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.899 179.2 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.709 0.29 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.01 176.65 9.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.82 127.64 37.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.834 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 4.1 m -56.4 88.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.909 0.861 . . . . 0.0 109.811 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 69.6 m -172.36 167.06 5.78 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.228 -1.351 . . . . 0.0 108.942 -175.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.37 40.67 1.99 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.4 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -154.18 123.15 6.35 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -174.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.23 -9.44 54.41 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.296 0.372 . . . . 0.0 113.211 -176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' ' 13' ' ' ASP . 42.4 mtpt -52.45 158.13 1.31 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.012 0.434 . . . . 0.0 111.267 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 25.3 p -72.1 -172.16 0.84 Allowed 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.03 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.01 -58.15 6.85 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 26.7 t70 -68.0 -48.47 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.116 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.553 ' HB3' ' HE2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -55.6 -23.45 27.51 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 111.497 -179.533 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 8.6 t -112.11 -83.26 0.59 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 67.0 m -75.02 -21.51 59.05 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -174.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.14 -55.23 16.26 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 114.475 0.55 . . . . 0.0 114.475 -169.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.596 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 18.5 Cg_endo -61.5 -32.03 88.07 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.243 1.962 . . . . 0.0 112.492 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 17' ' ' PRO . 2.9 mm? -75.53 -47.06 28.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.9 mt -67.51 -23.24 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.75 -7.57 54.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.093 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 60.79 15.81 6.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.415 HG22 ' HA ' ' A' ' 17' ' ' PRO . 14.9 t -86.72 3.39 45.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -175.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.596 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 25.2 ttm180 -162.43 134.82 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.058 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 p -84.27 134.19 34.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.21 92.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.83 -0.52 0.98 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.408 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -141.91 134.14 13.69 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.19 -39.11 61.25 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.477 2.118 . . . . 0.0 111.966 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 10.8 pt-20 -66.86 -45.65 77.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.179 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.5 -25.22 68.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.48 -44.73 13.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.284 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 23.2 ptt? -65.83 -37.31 85.88 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -171.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -22.89 56.67 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.096 -0.641 . . . . 0.0 110.167 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.564 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 22.4 m -71.73 -40.18 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -61.77 -46.8 88.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.115 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -54.14 -47.56 71.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.639 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.37 -36.41 80.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.016 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.17 67.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.2 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.09 -47.06 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 177.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -72.45 -13.04 61.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.011 0.434 . . . . 0.0 111.168 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.44 19.66 20.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.361 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 44.52 29.59 0.42 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.469 1.107 . . . . 0.0 113.164 179.465 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -106.07 59.2 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' HE1' ' HB3' ' A' ' 61' ' ' HIS . 32.5 p90 -60.75 -11.29 7.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.275 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -43.44 78.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.23 -32.25 69.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.748 0.309 . . . . 0.0 110.223 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 39' ' ' TYR . 33.7 mm -55.58 -51.81 54.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.82 175.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.89 -39.33 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.13 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.33 -28.15 69.1 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.654 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -98.07 13.35 31.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -88.19 152.23 22.12 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.31 136.21 23.19 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.09 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.65 -24.22 17.05 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.831 2.354 . . . . 0.0 112.407 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -89.71 -45.38 9.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 122' ' ' SER . 26.1 mmt180 -70.02 -22.98 63.05 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.437 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -62.82 -25.0 68.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.14 -16.34 62.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.343 0.592 . . . . 0.0 110.167 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.07 6.21 46.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.274 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -107.42 126.16 52.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.983 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 63' ' ' VAL . 21.2 m-20 -119.62 135.04 54.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.644 174.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 44' ' ' PHE . 48.9 m80 -55.46 -37.02 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.69 -40.81 98.3 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG23 ' HB2' ' A' ' 60' ' ' ASP . 60.9 t -68.25 -45.95 81.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.132 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -61.17 -35.74 77.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.279 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.651 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.7 ttp180 -61.43 -56.32 21.49 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.18 62.02 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.225 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.91 -52.88 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.762 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 ptm -71.0 -28.65 64.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.227 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.7 mt-10 -65.23 -37.62 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 110.854 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -96.5 4.73 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -134.98 104.13 5.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.694 0.283 . . . . 0.0 111.612 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 97' ' ' ARG . 13.7 m-20 -76.83 98.23 4.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -66.97 114.6 5.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.013 0.435 . . . . 0.0 110.409 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.558 ' HB2' ' HD2' ' A' ' 95' ' ' ARG . 88.6 mt -101.96 -49.03 4.06 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.873 -171.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB3' ' HE ' ' A' ' 95' ' ' ARG . 7.6 tp10 -153.4 153.6 32.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 -174.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.9 134.24 54.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.523 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 41.2 ttm180 -127.19 99.79 5.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.174 0.511 . . . . 0.0 109.677 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG22 ' HE3' ' A' ' 32' ' ' MET . 63.5 t -77.02 139.26 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.543 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.64 -67.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.542 0.21 . . . . 0.0 110.853 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -144.84 165.3 27.68 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.237 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB3' HG23 ' A' ' 90' ' ' VAL . 35.8 p -151.71 152.79 33.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.011 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 m -152.29 119.93 6.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.409 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.74 115.32 28.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -108.85 53.93 0.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.354 0.597 . . . . 0.0 109.587 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.57 -114.39 3.83 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.102 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 22.8 p -92.93 1.56 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.056 0.455 . . . . 0.0 111.184 -178.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.0 tmm_? -132.53 133.49 43.81 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -140.83 173.58 23.1 Favored Glycine 0 CA--C 1.508 -0.348 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.756 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.423 HG23 HE21 ' A' ' 111' ' ' GLN . 45.5 m -146.41 140.03 26.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 81' ' ' SER . 9.6 p -140.66 135.56 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -110.81 132.46 54.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.725 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.97 176.86 11.4 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 95.1 mt -129.22 119.06 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.583 177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.3 111.73 23.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.558 ' HD2' ' HB2' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -97.59 109.98 22.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.086 0.47 . . . . 0.0 110.322 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -129.54 162.3 28.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.7 ttm-85 -97.32 119.89 36.68 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -72.18 122.88 21.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.628 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.97 -78.65 0.21 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.463 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 38.57 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -150.07 -82.43 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.401 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.25 144.29 16.3 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 53.1 mt-10 -78.94 167.81 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -158.9 142.57 15.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -126.45 113.66 17.14 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -91.85 104.45 16.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.097 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -84.91 100.84 11.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.1 170.43 11.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 111.278 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.414 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . 52.3 ttt85 -131.48 102.63 6.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.447 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -101.65 135.13 43.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 110.806 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.423 HE21 HG23 ' A' ' 89' ' ' THR . 1.4 mp0 -97.34 138.22 35.13 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.836 175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -122.76 150.29 42.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -110.92 126.73 55.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.109 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 76.0 tttt -91.42 110.84 22.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -176.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.2 118.19 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.205 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER 55.67 33.58 21.57 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.566 178.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.07 -17.22 58.71 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.444 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.47 145.03 26.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.415 0.608 . . . . 0.0 109.708 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.438 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 85.8 m95 -96.68 134.65 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.334 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -122.32 140.4 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.013 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.83 116.01 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.244 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.6 m -90.63 -54.48 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.345 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.49 162.91 17.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.551 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.33 139.68 8.03 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -143.22 162.1 36.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.417 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.93 115.6 19.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 109' ' ' ARG . 7.1 p -67.88 135.89 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.393 179.005 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' THR . 57.7 ttp . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -64.16 174.41 1.59 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 110.362 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 3.0 t -132.25 124.8 29.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.4 m -58.63 81.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.074 0.94 . . . . 0.0 110.267 173.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 73.8 m -163.74 149.78 11.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.85 72.09 0.89 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.609 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.1 p -164.9 -59.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.13 -20.28 21.71 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.965 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 26.3 mtmt -59.6 161.01 6.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.605 0.203 . . . . 0.0 110.949 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 49.5 p -63.73 179.03 0.53 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.908 -174.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -55.68 -58.58 7.23 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.508 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.49 -52.97 26.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.28 -29.6 58.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 111.238 -177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 4.3 t -98.84 -80.01 0.47 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.822 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' HD12 ' A' ' 19' ' ' LEU . 53.7 m -74.47 -21.65 59.48 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.79 -55.19 18.81 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 -170.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.8 Cg_endo -68.83 -30.84 26.27 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.086 1.857 . . . . 0.0 112.591 -176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.4 mm? -71.56 -51.88 21.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 15' ' ' CYS . 71.7 mt -67.75 -27.83 67.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.985 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -4.93 59.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.268 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' NH2' ' HG3' ' A' ' 49' ' ' GLU . 11.1 mpt_? 63.14 2.36 1.06 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.995 0.518 . . . . 0.0 112.287 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.7 t -70.5 -16.14 62.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.96 0.41 . . . . 0.0 110.744 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 59.6 ttt180 -153.21 131.16 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.308 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.4 p -89.23 144.73 25.88 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.6 70.13 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.069 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.52 14.39 3.86 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.781 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 48.1 t -149.41 137.67 11.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -60.7 -47.81 12.53 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.542 2.161 . . . . 0.0 111.914 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.6 pt-20 -64.51 -44.24 91.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.529 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -63.89 -39.46 94.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.766 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.72 -38.87 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.834 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' A' ' 32' ' ' MET . 0.6 OUTLIER -63.66 -51.57 64.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.679 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD3' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -73.56 -21.49 60.34 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.269 -172.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 p -76.85 -37.06 56.31 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -67.55 -42.92 81.86 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.108 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -52.14 -40.64 61.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.228 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -64.5 -31.8 73.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.388 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -61.32 -37.52 83.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.448 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.584 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 1.4 m-85 -65.57 -42.03 92.22 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.409 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.75 -26.62 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.595 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' LYS . 98.6 mt -94.68 17.69 12.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.161 177.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.649 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.3 OUTLIER 53.41 10.99 0.23 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.743 1.217 . . . . 0.0 113.267 177.058 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -95.55 87.69 4.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.422 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.15 -10.56 59.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.8 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 20.2 t70 -58.31 -56.81 17.24 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.065 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -60.46 -31.47 70.47 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.904 0.383 . . . . 0.0 110.352 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.1 mm -57.92 -50.83 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 44' ' ' PHE . 47.4 t -60.9 -43.98 96.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.191 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.2 mm-40 -52.9 -41.8 64.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.035 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 p -94.37 22.47 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -101.06 146.94 26.79 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.843 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 15.2 t70 -48.34 140.13 9.99 Favored Pre-proline 0 C--O 1.223 -0.296 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.204 175.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -55.3 -37.6 94.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.397 2.064 . . . . 0.0 112.028 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.27 -38.71 55.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.611 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.4 mmt180 -75.99 -29.93 58.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 110.281 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -68.13 -25.19 65.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.692 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.49 -23.45 65.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.492 174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -96.51 -29.2 14.02 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.178 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.85 135.61 56.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.072 0.463 . . . . 0.0 111.791 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.02 147.17 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.799 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -59.74 -48.56 81.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.914 0.388 . . . . 0.0 111.141 -173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.67 -39.46 73.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.843 -176.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -64.61 -46.69 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.518 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.38 -38.03 76.45 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.082 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 73.2 ttt180 -68.21 -45.06 74.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.935 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -49.3 -38.21 26.75 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.057 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.584 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 20.7 t-105 -59.51 -51.68 68.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.649 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.1 ptt? -71.23 -20.08 62.3 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.738 0.304 . . . . 0.0 111.388 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.5 mm-40 -76.93 -27.06 54.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.768 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -105.98 -19.77 13.63 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.6 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m -105.81 101.38 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.733 0.302 . . . . 0.0 110.758 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.559 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 23.5 t70 -81.12 93.37 6.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -61.33 127.37 31.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.082 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.41 -49.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.005 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.552 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 34.8 tt0 -148.44 152.17 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.807 -172.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -128.14 125.94 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -128.08 99.36 5.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.227 -172.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.01 128.58 38.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.118 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 91' ' ' GLU . 85.4 mt -95.09 -59.97 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.45 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -149.97 160.44 28.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.001 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.5 p -138.07 149.46 46.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.715 0.293 . . . . 0.0 110.53 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.551 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 20.9 m -149.5 118.91 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -110.93 114.5 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 74.0 mmtt -115.15 90.25 3.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.221 -176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.02 -92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.37 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.4 m -122.59 -4.48 8.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -105.21 132.41 51.45 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 174.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.82 159.9 19.44 Favored Glycine 0 CA--C 1.505 -0.562 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.063 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.453 HG23 HE21 ' A' ' 111' ' ' GLN . 87.8 m -157.07 127.84 6.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.95 129.42 60.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.161 0.505 . . . . 0.0 110.035 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.522 ' HG2' HD12 ' A' ' 79' ' ' LEU . 40.3 tt0 -100.28 134.39 43.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.774 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.82 171.68 19.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.348 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 107' ' ' HIS . 71.8 mt -125.74 114.11 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.131 175.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.11 115.79 28.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.042 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.552 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 17.3 ttm-85 -94.82 122.78 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -143.8 161.83 37.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.217 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 69.4 ttt180 -89.84 111.71 22.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 116.88 11.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 -170.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.71 -79.74 0.69 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.365 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.98 45.62 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.111 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.24 -81.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.289 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.7 152.12 47.33 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.575 2.183 . . . . 0.0 112.408 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -83.99 158.61 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -154.81 144.14 21.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.427 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 11.8 p -120.44 111.85 18.24 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.682 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -89.84 104.33 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.512 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' HB2' HG12 ' A' ' 93' ' ' ILE . 7.1 t-160 -90.7 109.51 20.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.7 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 7.7 pt-20 -131.92 173.7 10.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.256 0.551 . . . . 0.0 111.018 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -131.01 103.04 6.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' THR . 22.9 t -93.09 135.14 34.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.663 -170.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.453 HE21 HG23 ' A' ' 89' ' ' THR . 1.7 mp0 -96.92 138.79 33.92 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.12 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.91 146.43 50.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.144 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -104.3 126.68 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.941 0.497 . . . . 0.0 109.81 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HD2' ' CZ2' ' A' ' 119' ' ' TRP . 63.3 tttt -91.86 110.98 22.34 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.25 135.79 32.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.545 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 63.21 19.74 11.85 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.78 -15.59 62.27 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.912 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -100.14 156.87 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.322 . . . . 0.0 110.648 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.497 ' CZ2' ' HD2' ' A' ' 114' ' ' LYS . 79.0 m95 -97.81 140.85 31.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.374 172.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -131.1 139.75 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.183 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -69.83 113.17 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.887 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.6 m -89.06 -45.94 9.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.168 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -177.98 147.58 0.47 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.697 0.284 . . . . 0.0 110.678 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.85 143.74 15.32 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -143.16 144.14 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.43 104.06 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.08 0.467 . . . . 0.0 110.553 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.448 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 7.4 p -85.46 144.99 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.597 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.644 -176.202 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.698 0.285 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -107.16 -158.13 0.64 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.628 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 4.4 t -144.12 138.58 28.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -176.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.4 m -68.0 78.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-O 122.208 1.004 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.747 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 71.7 m -161.79 169.64 21.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.941 -176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.71 48.9 2.7 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 168.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.8 m -163.53 103.54 0.94 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.07 -2.17 6.36 Favored Glycine 0 CA--C 1.521 0.427 0 O-C-N 123.305 0.378 . . . . 0.0 113.682 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 48.0 mtmt -61.96 165.13 5.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 0.0 111.212 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 43.3 p -68.55 -176.85 0.84 Allowed 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.307 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.23 -56.33 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 173.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.526 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 6.9 p-10 -67.53 -49.76 61.85 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.257 -177.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.18 -21.45 59.45 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.747 0.308 . . . . 0.0 111.494 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' THR . 3.5 t -111.21 -81.36 0.58 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.73 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -73.82 -21.5 60.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -174.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 12' ' ' ASP . . . -50.68 -55.17 18.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 114.485 0.554 . . . . 0.0 114.485 -169.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 31.0 Cg_endo -65.24 -29.06 55.48 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.329 2.02 . . . . 0.0 112.494 -178.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.522 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.28 -51.45 13.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -178.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.06 -22.33 60.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.084 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.01 -11.04 60.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.457 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 64.55 10.23 5.69 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.303 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 t -89.18 -33.56 16.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.238 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 69.8 ttt180 -121.74 142.84 49.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.079 -175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.7 p -86.88 141.77 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.753 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -54.74 -33.84 61.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.262 -0.427 . . . . 0.0 112.006 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.65 11.61 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.254 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -172.63 137.87 0.87 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.689 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.06 -49.56 7.85 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.815 2.343 . . . . 0.0 111.893 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.9 pt-20 -59.61 -39.95 85.9 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.192 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -60.82 -40.8 94.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.619 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD11 ' HB ' ' A' ' 50' ' ' THR . 1.6 tm? -66.94 -42.61 84.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.228 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.2 tpt -64.99 -51.75 59.96 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -71.4 -22.7 61.83 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.765 -173.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 m -76.47 -39.7 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.76 -43.95 94.07 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.139 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.07 -45.52 92.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.664 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.747 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -60.47 -39.26 86.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.629 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.66 -35.91 81.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -61.77 -41.6 97.92 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.127 0.489 . . . . 0.0 110.201 174.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.81 -21.51 62.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.509 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 88.6 mt -97.06 17.3 17.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.154 176.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.04 19.06 0.25 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.537 1.135 . . . . 0.0 113.282 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -93.36 80.94 4.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.401 0.619 . . . . 0.0 109.911 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.443 ' HE2' ' HB3' ' A' ' 61' ' ' HIS . 46.1 p90 -72.68 -26.11 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.331 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.96 -38.06 82.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.785 -176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.457 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 66.3 t80 -60.71 -36.3 78.46 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.128 0.49 . . . . 0.0 110.327 175.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 38' ' ' ALA . 35.8 mm -58.86 -51.95 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.69 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.5 t -53.96 -39.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.733 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.24 -38.29 90.58 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.797 0.332 . . . . 0.0 111.297 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.421 ' HB ' HD11 ' A' ' 31' ' ' LEU . 9.1 p -91.81 18.37 7.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.212 0.529 . . . . 0.0 111.379 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -97.86 150.9 20.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 9.3 t70 -48.33 132.11 13.03 Favored Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.03 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -50.93 -28.43 23.89 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.868 2.379 . . . . 0.0 112.325 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -78.66 -38.48 39.33 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 110.593 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 122' ' ' SER . 53.7 mmm-85 -81.84 -26.82 33.94 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -61.76 -35.38 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.862 -173.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.08 -24.74 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.752 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -90.31 -13.7 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.261 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.53 93.18 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.986 0.422 . . . . 0.0 111.611 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -73.67 114.64 12.17 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.731 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 44' ' ' PHE . 66.9 m80 -53.93 -38.83 65.3 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.721 -176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.47 -55.0 36.9 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.016 0.436 . . . . 0.0 110.785 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.25 -41.36 91.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -36.83 71.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.949 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 32.4 ttp180 -78.11 -51.62 9.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.223 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.62 60.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.568 -172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -70.72 -41.29 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.091 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 23.9 ptt? -71.95 -22.92 61.39 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.077 -177.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 42.1 mt-10 -64.73 -48.27 75.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.567 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.09 -15.97 59.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.026 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 m -112.62 92.67 4.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 111.144 -174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.34 111.53 7.62 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.5 m-85 -77.4 122.12 24.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.461 0.172 . . . . 0.0 110.873 -178.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.44 -56.99 2.11 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 95' ' ' ARG . 33.0 tt0 -126.0 125.3 42.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.2 tp -100.75 122.63 43.7 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 168.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . 21.7 ttm180 -118.18 97.43 5.79 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -82.06 109.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.754 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 mt -73.66 -44.91 55.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.352 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.78 167.42 36.52 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.22 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -151.4 113.32 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.3 m -119.72 118.85 31.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.485 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.59 114.52 26.19 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -110.05 83.78 1.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.64 -119.78 13.22 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.097 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 m -92.28 -0.37 57.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.107 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 2.8 tmm_? -116.37 131.86 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -127.12 141.94 13.07 Favored Glycine 0 CA--C 1.506 -0.497 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.104 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 m -126.41 128.17 46.59 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 p -129.89 117.61 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.299 0.571 . . . . 0.0 110.303 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -94.84 125.54 39.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.456 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -144.88 176.25 9.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.534 . . . . 0.0 111.508 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 88.5 mt -133.63 117.82 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.196 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.98 108.88 20.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 41.5 ttm180 -96.01 123.17 39.5 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 174.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -141.89 145.34 34.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.788 -177.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.422 ' NH1' ' HA2' ' A' ' 100' ' ' GLY . 3.1 tmt_? -90.2 107.7 19.29 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 98' ' ' ARG . 1.2 ptm180 -103.73 156.2 17.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -168.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.38 -99.54 0.1 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.382 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 97' ' ' ARG . . . -163.11 48.93 0.32 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.6 -109.8 0.31 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.969 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -79.48 164.7 23.6 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.242 2.628 . . . . 0.0 113.79 -172.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.23 123.2 31.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.523 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -102.74 147.05 27.33 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.1 p -122.91 112.41 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 0.0 110.637 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -94.82 125.19 39.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.405 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -114.68 102.46 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.505 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.41 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 3.0 pm0 -122.56 169.48 10.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 110.986 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -127.92 101.36 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 174.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.1 m -94.2 132.95 38.22 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.349 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -98.87 137.55 37.28 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.977 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.46 138.38 53.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.801 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -103.85 131.08 51.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.563 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -89.52 107.06 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.955 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.93 132.92 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.847 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 61.19 21.37 11.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.589 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.94 57.85 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.484 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -93.36 152.31 19.22 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -99.64 131.03 45.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.16 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.74 142.51 51.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.628 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 52' ' ' ASP . 50.0 t80 -68.46 116.22 8.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 44.0 m -93.54 -55.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -153.83 149.86 27.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.507 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -137.22 86.53 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.649 -0.581 . . . . 0.0 111.649 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -89.06 139.07 30.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.721 0.296 . . . . 0.0 110.537 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.46 114.4 9.49 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.41 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 5.3 p -87.05 137.5 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 -178.821 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 10' ' ' THR . 23.7 mmt . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -68.51 147.45 51.98 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 9.9 t -72.19 145.21 48.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.677 0.275 . . . . 0.0 111.522 -173.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.65 49.38 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 174.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.69 ' SG ' ' HG2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -174.18 159.01 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.13 78.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.541 0 O-C-N 123.395 0.435 . . . . 0.0 113.302 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 m -161.67 119.05 2.21 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.81 50.47 2.97 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 121.481 -0.39 . . . . 0.0 113.026 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 29.5 mtmt -140.49 173.64 11.3 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 81.9 p -69.67 -176.99 1.13 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.848 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.58 -58.74 4.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.9 -40.42 96.46 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.85 -44.02 91.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.958 0.409 . . . . 0.0 110.684 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 8.5 t -87.43 -82.97 0.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 58.8 m -73.75 -20.12 60.59 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.98 -54.55 22.22 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.386 -0.674 . . . . 0.0 114.214 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 27.9 Cg_endo -62.47 -30.69 80.3 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.479 2.119 . . . . 0.0 112.606 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.6 -51.26 24.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 110.14 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.81 -21.14 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -79.86 -3.25 47.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.838 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 59.77 16.37 5.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.819 0.448 . . . . 0.0 111.454 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.8 t -93.23 -27.77 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.579 0.228 . . . . 0.0 111.417 -176.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 61.8 ttt180 -129.42 134.4 47.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.366 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 p -88.85 133.56 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.179 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -37.81 80.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.78 13.56 2.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.298 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 t -148.09 137.29 11.97 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -56.59 -49.96 13.23 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.809 2.339 . . . . 0.0 112.204 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 5.6 pt-20 -64.53 -43.23 94.67 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.977 0.417 . . . . 0.0 110.422 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -61.12 -37.23 82.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.781 -178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 3.2 tm? -75.58 -43.1 50.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.576 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.485 ' HG2' HG11 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -72.86 -35.19 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.075 -176.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -75.34 -27.12 59.09 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -177.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 20.9 p -77.31 -34.99 55.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 47' ' ' ILE . 19.2 ttt180 -63.63 -43.82 95.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.249 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.88 -45.77 74.67 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.08 -37.09 73.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -63.48 -36.95 85.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.786 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.85 -47.46 85.64 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -19.08 64.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.56 19.46 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.664 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 48.26 21.35 0.34 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.744 1.217 . . . . 0.0 112.965 179.411 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.67 58.57 5.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 109.955 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.613 ' HB2' ' HB3' ' A' ' 64' ' ' ASN . 40.4 p90 -65.13 -19.62 66.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.575 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 30.5 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.16 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -56.22 -32.86 64.83 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.571 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' A' ' 38' ' ' ALA . 31.7 mm -63.78 -52.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 60.7 t -56.21 -39.79 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.526 176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 39.3 mt-10 -64.07 -40.11 95.54 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.883 177.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 p -85.09 12.82 7.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.36 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.31 150.51 20.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' A' ' 113' ' ' ARG . 14.9 t70 -56.58 136.83 77.3 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.73 -38.16 55.75 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.764 2.309 . . . . 0.0 112.341 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.31 -37.79 63.51 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.548 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.6 -23.53 45.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.7 ttp180 -68.2 -27.56 66.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.414 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.043 174.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.7 mt -105.55 -5.92 19.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.271 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.7 t80 -95.87 87.76 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.196 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.0 131.67 43.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.674 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 48' ' ' VAL . 79.2 m80 -58.63 -38.47 78.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.84 175.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.33 -51.03 65.99 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.3 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.66 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.613 ' HB3' ' HB2' ' A' ' 44' ' ' PHE . 37.5 m-80 -61.16 -43.54 98.72 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 18.3 ttp180 -65.75 -53.51 39.62 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -54.77 -39.91 68.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.377 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -61.13 -53.05 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -67.14 -22.97 65.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.695 -178.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 22.1 mm-40 -74.76 -37.27 62.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.465 176.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 11.4 pt-20 -94.66 -1.78 52.5 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.693 0.283 . . . . 0.0 111.366 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -138.71 99.68 3.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.801 0.334 . . . . 0.0 110.181 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.506 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . 35.6 t70 -80.31 98.72 7.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.262 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 97.0 m-85 -60.83 137.29 58.22 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.062 0.458 . . . . 0.0 111.604 -175.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 mt -122.36 -51.05 1.98 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.477 -172.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.33 149.13 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.059 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.1 tp -114.44 145.51 41.78 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 77' ' ' ARG . 30.1 ttt85 -138.62 99.47 3.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.94 136.68 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.246 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 HD12 ' HG2' ' A' ' 91' ' ' GLU . 75.6 mt -109.51 -58.89 1.98 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.716 0.293 . . . . 0.0 110.968 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -146.79 166.99 28.26 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.057 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.6 p -162.59 143.65 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.747 0.274 . . . . 0.0 111.048 -176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.0 m -148.95 135.89 19.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.235 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 38.1 tt0 -116.64 115.32 25.47 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -109.75 50.75 0.78 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.228 0.537 . . . . 0.0 109.702 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.96 -104.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.483 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 14.6 m -85.97 -14.16 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -177.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -117.11 134.01 55.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.36 154.51 25.13 Favored Glycine 0 CA--C 1.509 -0.29 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.322 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 m -139.54 138.54 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 5.1 p -143.34 134.81 23.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 109' ' ' ARG . 39.9 tt0 -110.74 136.04 50.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.396 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -156.77 171.75 19.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.0 111.049 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 107' ' ' HIS . 81.0 mt -126.29 122.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.247 175.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.15 118.38 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -94.13 122.0 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.5 p90 -139.25 155.8 47.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.131 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.506 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 12.4 ttp85 -88.94 110.69 21.32 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -70.68 111.64 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.633 -172.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.92 -89.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.841 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -156.23 25.88 0.54 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.37 -103.85 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.589 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -85.66 157.31 10.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.047 2.498 . . . . 0.0 113.111 -175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.21 108.95 16.06 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -98.75 140.54 32.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.553 -176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 p -115.01 114.2 25.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 15.1 t60 -92.9 107.11 18.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.877 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.491 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.5 t-160 -103.17 120.04 39.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.47 176.25 10.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.116 0.484 . . . . 0.0 110.33 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 91' ' ' GLU . 33.6 ttm180 -128.56 101.79 6.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.7 m -92.31 135.61 33.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 23.1 mp0 -101.31 140.5 35.52 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -125.67 164.98 19.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.97 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.462 HH21 ' CG ' ' A' ' 52' ' ' ASP . 24.0 ttp180 -129.06 132.16 47.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.986 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 66.7 tttt -94.61 106.46 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.764 -173.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.432 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -117.53 123.66 46.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 57.11 23.19 8.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.338 -177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.33 67.68 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.073 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 118' ' ' ARG . 2.1 mpt_? -91.18 137.16 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.461 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 83.4 m95 -91.04 128.16 36.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.838 0.352 . . . . 0.0 110.596 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 115' ' ' ALA . 86.7 m-85 -119.52 134.81 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.65 120.7 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.971 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 m -100.81 -46.13 5.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.9 pt-20 -165.93 170.32 13.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.28 31.08 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.3 138.14 9.79 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.964 0.382 . . . . 0.0 111.22 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.16 119.72 15.69 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 173.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 109' ' ' ARG . 11.4 t -83.07 139.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.466 -171.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.782 -0.627 . . . . 0.0 109.897 176.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.21 150.15 43.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.915 0.388 . . . . 0.0 110.406 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 t -82.86 142.55 31.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.566 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 9.8 m -68.62 76.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.937 0.875 . . . . 0.0 110.263 172.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.829 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 57.7 m -166.33 139.43 3.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.706 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.88 87.22 0.02 OUTLIER Glycine 0 CA--C 1.52 0.393 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 p -169.19 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 0.0 110.174 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.26 -22.38 35.18 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.986 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.1 mtmt -68.38 162.38 25.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.552 0.215 . . . . 0.0 110.481 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 32.2 p -69.57 179.15 2.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.023 -176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.88 -50.8 72.66 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.15 -56.57 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.31 -26.61 66.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.323 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 10' ' ' THR . 2.9 t -100.93 -80.66 0.49 Allowed 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.4 m -74.15 -21.31 59.91 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.35 -55.88 14.79 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 119.523 -0.598 . . . . 0.0 114.421 -170.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.5 Cg_endo -65.95 -30.03 48.78 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.19 1.927 . . . . 0.0 112.693 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.3 mm? -75.12 -51.5 13.31 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.788 -178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.13 -25.96 65.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -10.59 59.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 49' ' ' GLU . 6.2 mmt85 65.11 6.82 3.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.679 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.5 t -80.38 -23.1 40.7 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.253 -174.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -142.24 134.11 27.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.732 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 m -84.98 140.1 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.108 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.85 78.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.88 9.67 3.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.148 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.9 m -148.88 136.31 10.96 Favored Pre-proline 0 C--O 1.235 0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.18 -45.11 40.48 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.635 2.224 . . . . 0.0 111.965 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.31 -42.5 96.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.47 -18.98 63.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.582 HD11 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -90.22 -47.66 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.55 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.61 ' SD ' ' N ' ' A' ' 33' ' ' ARG . 4.4 ppp? -61.32 -42.6 98.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.14 -172.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.61 ' N ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.5 -22.97 62.59 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.377 -178.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 m -76.02 -41.88 49.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.019 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.582 ' HD2' HD11 ' A' ' 31' ' ' LEU . 40.9 mtp180 -66.45 -38.71 87.97 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.032 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 73' ' ' PHE . 76.3 t80 -52.91 -47.48 67.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.393 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -63.21 -32.45 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.905 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.98 88.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.546 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CE1' HG13 ' A' ' 47' ' ' ILE . 3.5 m-85 -65.18 -47.42 77.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.885 0.374 . . . . 0.0 110.498 175.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.35 -28.54 70.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' C ' ' HD2' ' A' ' 42' ' ' LYS . 95.3 mt -98.76 17.62 18.93 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.618 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 43.93 25.07 0.09 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.589 1.156 . . . . 0.0 113.247 -179.373 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -96.89 64.47 2.03 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 29.9 p90 -67.26 -10.82 54.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.718 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 24.5 t70 -56.43 -50.53 71.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.433 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.12 -32.71 74.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 ' O ' ' A' ' 35' ' ' ARG . 27.1 mm -55.35 -52.22 48.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.661 177.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' O ' ' HD3' ' A' ' 56' ' ' ARG . 39.2 t -56.88 -42.76 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.62 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 21' ' ' ARG . 36.3 mt-10 -60.15 -42.6 95.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 -178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -91.7 21.3 4.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.171 -174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.3 m -97.65 150.74 20.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -52.66 135.05 45.2 Favored Pre-proline 0 N--CA 1.463 0.199 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.804 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.76 -35.02 67.52 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.581 2.187 . . . . 0.0 112.152 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -72.99 -33.62 65.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 122' ' ' SER . 29.4 mmm180 -85.26 -32.0 22.8 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.86 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.539 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 43.8 ttp180 -66.58 -20.57 66.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.941 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.81 -31.24 70.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.654 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.2 mp -90.77 -32.7 16.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.539 ' HB2' ' HA ' ' A' ' 56' ' ' ARG . 2.8 m-85 -56.7 124.73 19.4 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -174.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 63' ' ' VAL . 6.4 m-20 -111.16 140.19 45.91 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 167.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -61.37 -37.88 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.658 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.51 -37.72 88.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.701 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 60' ' ' ASP . 44.3 t -71.01 -37.1 66.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.065 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -62.07 -37.98 87.09 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.565 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 65' ' ' ARG . 11.9 ttm180 -64.43 -46.54 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.956 174.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -52.63 -46.91 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.392 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 15.2 m0 -56.47 -52.83 63.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.425 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.618 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 10.6 ptm -66.26 -21.64 66.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.348 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -78.4 -44.0 26.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -91.03 -6.08 54.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.734 0.302 . . . . 0.0 111.09 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -131.63 91.22 2.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.962 171.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.11 89.68 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.986 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 97.8 m-85 -58.8 114.53 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.875 0.369 . . . . 0.0 111.627 -175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.7 -61.45 1.39 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.335 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -127.5 141.71 51.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.831 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.7 tp -110.38 131.91 54.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.385 171.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.659 ' NH2' HH22 ' A' ' 95' ' ' ARG . 26.4 ttm180 -125.5 98.19 5.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.78 130.15 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.992 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 mt -105.09 -56.5 2.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.948 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -153.93 164.83 31.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.167 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -159.27 152.27 22.07 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.716 0.293 . . . . 0.0 110.975 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -149.08 135.47 19.34 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -106.21 115.07 29.59 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -107.97 53.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 0.0 109.547 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.79 -107.79 3.33 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.991 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.587 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 71.2 m -101.68 9.17 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.784 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.524 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -138.3 133.35 32.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.82 179.56 24.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.773 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.43 HG23 HE21 ' A' ' 111' ' ' GLN . 88.7 m -152.39 149.96 29.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.423 0.289 . . . . 0.0 110.262 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 32' ' ' MET . 2.4 p -146.04 124.1 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 109.982 173.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -95.45 137.47 34.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.654 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -155.08 -178.22 7.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 77' ' ' ARG . 77.9 mt -129.52 110.74 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.301 174.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.69 109.17 20.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.873 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.659 HH22 ' NH2' ' A' ' 77' ' ' ARG . 39.0 ttm180 -97.46 138.18 35.29 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.48 151.45 37.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.216 0.531 . . . . 0.0 111.364 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -93.01 130.16 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.925 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -99.71 131.54 45.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.664 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.69 40.48 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.188 -0.46 . . . . 0.0 113.428 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.19 12.05 62.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.326 -0.464 . . . . 0.0 113.078 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.55 -99.82 1.95 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.309 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.6 155.95 65.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.808 2.338 . . . . 0.0 112.706 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -98.82 138.79 35.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.935 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -128.92 137.53 51.47 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 95' ' ' ARG . 32.3 m -114.98 130.67 56.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.094 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -113.64 127.69 56.15 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -105.42 101.18 10.73 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.74 170.81 8.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.68 0.752 . . . . 0.0 111.419 -176.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -137.25 101.49 4.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -99.96 137.7 38.05 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.062 0.458 . . . . 0.0 111.558 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.524 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 2.0 mp0 -97.63 139.66 33.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.694 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -124.94 150.35 46.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.693 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -111.48 148.15 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 77.9 tttt -113.4 129.01 56.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.759 0.314 . . . . 0.0 110.584 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -142.16 125.82 16.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.192 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 4.0 mpt_? 56.34 26.52 10.71 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 93.01 -20.01 48.52 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.257 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.91 143.39 27.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.084 0.442 . . . . 0.0 109.896 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -97.83 141.81 30.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -130.58 141.93 50.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.526 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -71.95 118.12 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.984 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 50.7 m -93.8 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -143.24 139.29 30.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.678 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.21 106.92 0.78 Allowed Glycine 0 N--CA 1.452 -0.248 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.11 167.75 13.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.447 0.299 . . . . 0.0 110.205 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.31 151.44 42.76 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 129.23 34.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.0 0.429 . . . . 0.0 111.172 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.952 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -75.69 155.87 35.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.223 0.535 . . . . 0.0 111.24 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 6.4 t -73.2 131.17 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.61 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.604 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 6.8 m -57.91 87.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.788 0.804 . . . . 0.0 109.786 172.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 97.5 m -171.64 164.0 6.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.406 -173.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.75 59.21 2.99 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 p 179.4 117.24 0.05 OUTLIER 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.669 0.788 . . . . 0.0 109.214 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.08 10.84 8.93 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.893 -173.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 39.8 mtmt -70.49 166.32 20.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.081 0.44 . . . . 0.0 110.027 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 57.6 p -73.16 175.97 6.29 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.007 0.432 . . . . 0.0 111.436 -176.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.03 -58.13 9.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.355 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.53 -41.68 98.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.11 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -64.15 -47.19 80.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.512 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' THR . 0.9 OUTLIER -84.8 -74.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.937 -177.02 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 55.9 m -74.14 -24.06 59.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.63 -55.27 14.24 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.558 -0.579 . . . . 0.0 114.466 -169.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HG2' HD22 ' A' ' 18' ' ' LEU . 29.1 Cg_endo -63.83 -30.19 68.19 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.279 1.986 . . . . 0.0 112.565 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD22 ' HG2' ' A' ' 17' ' ' PRO . 3.5 mm? -75.59 -49.58 18.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.99 -25.49 64.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.01 -7.14 47.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.331 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 61.57 14.02 5.65 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.178 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -105.34 -6.41 19.64 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.575 -172.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -130.44 135.19 47.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.885 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -90.1 122.62 33.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.567 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.26 68.81 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.666 0.269 . . . . 0.0 111.249 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.02 7.32 2.06 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.503 175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -150.62 136.35 10.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.1 -42.05 61.4 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.523 2.149 . . . . 0.0 112.22 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 32' ' ' MET . 0.4 OUTLIER -71.87 -30.7 65.7 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -178.42 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . . . -73.07 -36.32 66.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 110.668 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD13 ' HD2' ' A' ' 35' ' ' ARG . 3.1 tm? -75.64 -38.63 58.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.593 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 20.4 ptm -64.18 -50.18 69.12 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' N ' ' HG3' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.86 -24.29 58.55 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.007 -172.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 p -72.17 -47.47 50.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -69.23 -32.36 71.54 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 178.39 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -51.54 -43.9 62.5 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.97 0.414 . . . . 0.0 110.657 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.578 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -63.79 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.846 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -62.11 -37.43 85.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.561 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' HD2' ' HB3' ' A' ' 68' ' ' MET . 2.1 m-85 -62.65 -41.99 99.36 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.927 0.394 . . . . 0.0 110.214 175.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.38 69.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.552 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.2 mt -91.01 15.12 12.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.43 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.591 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.0 OUTLIER 45.58 23.41 0.14 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.459 1.103 . . . . 0.0 112.591 -178.078 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -98.95 85.67 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.58 . . . . 0.0 109.966 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.4 p90 -71.77 -13.61 61.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.548 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.43 -55.2 16.89 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.407 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -64.28 -32.77 74.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.977 0.418 . . . . 0.0 110.692 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 35' ' ' ARG . 51.6 mm -62.23 -53.08 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 44' ' ' PHE . 40.7 t -55.1 -41.96 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.86 -177.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.06 -31.47 71.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.7 p -91.59 19.39 6.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.282 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.271 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 12.2 t70 -50.08 135.56 22.02 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.171 178.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.72 -33.97 72.34 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.706 2.27 . . . . 0.0 112.127 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -78.55 -33.97 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 43.8 mmt-85 -80.19 -25.89 39.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.225 0.536 . . . . 0.0 110.141 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -60.42 -27.23 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.46 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.4 -44.28 95.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.196 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.62 -25.87 61.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.345 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.84 102.94 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.376 174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.47 143.45 37.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -54.61 -47.31 73.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -170.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -58.66 -47.8 83.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.02 0.438 . . . . 0.0 111.097 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.23 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.357 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -58.36 -36.6 73.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 42.7 ttp180 -76.97 -46.21 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.123 178.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.88 -40.57 30.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.369 -174.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -58.21 -54.71 43.87 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.611 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.591 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 15.8 ptm -65.05 -30.28 71.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.314 -174.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 33.4 mt-10 -63.53 -29.76 70.98 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -111.6 10.33 21.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.992 0.425 . . . . 0.0 110.738 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.7 m -135.24 76.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.673 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.58 93.18 0.15 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.356 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.9 m-85 -58.73 131.34 50.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.048 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.16 -51.12 2.64 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -150.84 148.14 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.613 -175.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.6 tp -120.11 126.89 51.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.205 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -115.44 98.67 6.87 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.5 t -82.53 126.79 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.856 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.421 HD12 ' HG2' ' A' ' 91' ' ' GLU . 68.5 mt -95.36 -60.18 1.72 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.061 -174.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.14 29.52 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.616 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -137.17 157.48 46.57 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.688 0.28 . . . . 0.0 110.393 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.1 m -150.07 135.05 17.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.174 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -103.63 114.99 29.68 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -105.03 80.79 1.65 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.1 -94.42 0.21 Allowed Glycine 0 CA--C 1.522 0.474 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.563 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 m -117.4 3.42 12.52 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 111.1 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -128.61 133.5 48.33 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.57 175.86 18.12 Favored Glycine 0 CA--C 1.505 -0.57 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.76 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -154.39 141.05 18.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.509 HG21 ' SD ' ' A' ' 32' ' ' MET . 7.3 p -134.54 131.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.87 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.4 tt0 -100.21 138.82 36.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.415 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -154.81 179.51 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.21 0.528 . . . . 0.0 111.664 -175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 68.4 mt -134.29 113.17 16.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.194 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.12 113.98 26.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.375 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -95.62 121.08 36.95 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.9 p90 -143.77 155.24 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.068 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 46.5 ttp180 -89.84 107.8 19.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -72.98 146.39 46.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.97 80.35 0.01 OUTLIER Glycine 0 C--N 1.333 0.365 0 O-C-N 123.605 0.565 . . . . 0.0 112.194 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.64 -36.86 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.28 -69.68 0.27 Allowed Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.746 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -76.09 158.74 37.82 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.752 2.301 . . . . 0.0 113.699 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.5 mt-10 -83.11 112.22 19.61 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.758 175.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -100.65 142.61 31.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.001 0.429 . . . . 0.0 110.139 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.0 p -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -96.5 119.19 34.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -102.23 101.06 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.062 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 -176.17 3.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.564 ' HB2' HG22 ' A' ' 127' ' ' VAL . 21.4 ttt85 -136.84 104.46 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 p -92.43 131.47 37.56 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 125' ' ' GLU . 24.2 mp0 -96.83 135.77 38.33 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.371 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.68 159.16 25.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.391 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -122.96 142.48 50.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.727 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -105.89 113.82 27.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.196 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.14 129.69 34.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.784 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 63.47 19.27 11.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 109.624 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.56 63.05 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.483 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 3.8 mpt_? -93.85 157.03 16.33 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -104.9 140.14 38.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -131.79 141.95 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.088 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -70.81 117.48 12.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.685 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 61.4 m -97.92 -52.44 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 111.212 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -159.2 178.26 10.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.805 -174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -156.4 134.72 4.18 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' HG2' HE22 ' A' ' 111' ' ' GLN . 12.6 pt-20 -125.62 153.69 43.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 110.245 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.27 126.86 31.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.223 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.564 HG22 ' HB2' ' A' ' 109' ' ' ARG . 95.9 t -63.83 108.36 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.238 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.862 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.719 0.295 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -101.48 173.72 6.3 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -84.58 147.89 26.76 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.732 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.83 45.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 121.483 0.659 . . . . 0.0 110.856 175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -166.32 133.13 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.49 85.0 0.01 OUTLIER Glycine 0 C--N 1.336 0.531 0 O-C-N 123.748 0.655 . . . . 0.0 113.732 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.54 ' OG ' ' HG3' ' A' ' 33' ' ' ARG . 23.7 m -132.93 -11.62 2.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.563 0.221 . . . . 0.0 111.244 175.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.75 24.54 69.85 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.005 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 27.4 mmmt -128.07 166.63 18.07 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.863 0.465 . . . . 0.0 110.325 -173.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.518 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 70.4 p -75.09 -171.99 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.329 176.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -75.3 -55.77 5.38 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 7.0 m-20 -58.01 -45.11 87.39 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.553 -174.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' HB3' ' HE3' ' A' ' 9' ' ' LYS . 7.2 m-20 -70.98 -40.32 71.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.198 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 9' ' ' LYS . 41.0 t -88.02 -93.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.455 -170.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 99.5 m -74.26 -20.29 60.2 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -52.12 -54.8 24.5 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 119.658 -0.523 . . . . 0.0 114.361 -173.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 29.6 Cg_endo -63.47 -26.7 70.28 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.227 1.951 . . . . 0.0 112.413 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.7 mm? -75.2 -51.11 14.16 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.218 0.533 . . . . 0.0 109.736 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.37 -26.08 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.31 -12.52 60.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.671 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 63.55 27.76 15.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.033 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -111.42 -25.91 9.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.458 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 40.8 ttm180 -122.47 136.18 54.83 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.869 0.366 . . . . 0.0 111.182 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.1 p -87.43 133.55 33.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.268 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.55 76.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.392 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.46 18.56 6.99 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.645 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 43.5 t -159.16 139.0 8.63 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.06 -45.45 27.95 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.629 2.219 . . . . 0.0 112.028 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HB3' ' OG ' ' A' ' 81' ' ' SER . 7.7 pt-20 -67.51 -43.3 81.2 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.557 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' SER . . . -63.77 -19.96 65.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.997 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB ' ' A' ' 50' ' ' THR . 2.6 tm? -89.86 -41.87 11.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.651 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 5.3 tmm? -61.45 -50.38 73.01 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.614 -173.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' OG ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -67.34 -22.38 65.6 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.455 -176.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.676 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 m -75.98 -43.62 43.66 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.623 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 32' ' ' MET . 34.7 ptt180 -62.65 -37.63 87.12 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.036 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 64.1 t80 -56.38 -43.81 79.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.049 0.452 . . . . 0.0 110.211 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -35.85 78.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.64 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -47.5 85.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.774 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' HG13 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.71 -39.4 93.58 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.723 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.35 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.066 0.46 . . . . 0.0 110.486 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' LYS . 97.7 mt -95.62 6.68 48.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.704 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 75.29 -27.38 0.19 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.283 0.633 . . . . 0.0 112.561 177.53 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.41 78.9 0.39 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.158 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -71.87 -9.82 58.88 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.02 0.438 . . . . 0.0 110.528 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -50.19 -45.47 53.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.685 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 75.4 t80 -60.41 -34.06 73.4 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 35' ' ' ARG . 38.2 mm -60.59 -48.2 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 109.645 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 56' ' ' ARG . 25.7 t -59.46 -34.85 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.095 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -71.62 -20.27 62.0 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.707 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.512 ' HB ' HD11 ' A' ' 31' ' ' LEU . 21.2 p -113.63 22.68 13.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 111.513 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -118.02 134.77 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' N ' ' HB3' ' A' ' 120' ' ' TYR . 1.8 m-20 -52.54 139.06 39.77 Favored Pre-proline 0 N--CA 1.466 0.347 0 O-C-N 123.125 0.266 . . . . 0.0 110.442 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 56' ' ' ARG . 10.3 Cg_endo -50.2 -34.78 40.78 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.042 2.495 . . . . 0.0 112.351 -174.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.36 -41.28 98.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.964 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -87.77 -31.47 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.229 0.537 . . . . 0.0 109.933 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 20.4 ttt180 -60.86 -35.06 75.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.238 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.19 -33.0 74.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.366 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.5 mt -78.75 -19.87 51.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -68.49 110.53 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.15 136.83 37.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.775 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -57.07 -45.18 83.48 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.351 -175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.48 -51.15 70.7 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.477 0.656 . . . . 0.0 110.315 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.28 -49.19 74.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.125 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.16 -32.13 71.85 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.8 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 41.8 ttt-85 -70.47 -45.79 65.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.27 -37.92 49.91 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.874 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -55.73 -57.26 12.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.028 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -67.71 -25.91 65.91 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 110.73 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 16.2 mm-40 -63.19 -38.58 91.75 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.73 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HB2' ' NH2' ' A' ' 98' ' ' ARG . 12.7 pt-20 -113.99 18.91 16.93 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.676 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -145.1 101.76 3.66 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.652 0.263 . . . . 0.0 110.811 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.26 107.75 17.44 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 96.3 m-85 -65.1 124.21 21.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.237 -175.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 96' ' ' PHE . 78.6 mt -101.03 -57.58 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 -175.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -148.35 153.02 38.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.624 -171.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.3 tm? -125.86 127.84 46.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -130.45 109.9 11.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.158 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.19 129.05 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 91' ' ' GLU . 77.6 mt -94.95 -50.04 5.29 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.01 158.45 29.44 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.143 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.428 ' OG ' ' HB3' ' A' ' 29' ' ' GLU . 44.8 m -148.17 144.11 27.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.2 m -147.35 119.21 8.11 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.849 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -99.0 124.42 43.97 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.924 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -117.96 90.92 3.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.55 -90.74 0.12 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.312 -0.471 . . . . 0.0 112.397 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -125.4 -4.18 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 111.069 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' HE ' ' HB3' ' A' ' 87' ' ' ARG . 1.7 tmm_? -114.38 133.16 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.61 166.05 25.15 Favored Glycine 0 CA--C 1.509 -0.331 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.605 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.0 m -146.42 143.13 28.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.4 132.37 31.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.987 0.422 . . . . 0.0 110.753 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' HG2' HD12 ' A' ' 79' ' ' LEU . 38.2 tt0 -104.3 139.84 38.72 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.66 177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' ' HG ' ' A' ' 79' ' ' LEU . 23.0 p90 -157.85 -177.18 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.0 mt -135.88 114.52 15.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.557 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.51 112.12 23.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.196 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -95.61 126.29 40.79 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.2 p90 -150.08 162.4 40.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.673 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -89.57 118.66 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 1.6 tpm_? -69.92 94.31 0.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.137 -175.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.14 -93.76 0.17 Allowed Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.967 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.06 26.7 1.59 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -120.01 -105.43 2.08 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.362 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -84.77 160.45 12.17 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.034 2.489 . . . . 0.0 113.141 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.46 106.74 17.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -98.33 141.41 31.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.986 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.5 p -125.32 112.62 16.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.923 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -88.9 114.97 26.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.812 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -97.12 108.96 21.8 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.94 175.42 9.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.393 0.616 . . . . 0.0 111.157 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.567 ' HB2' HG11 ' A' ' 127' ' ' VAL . 40.8 ttm180 -138.14 107.91 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.468 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 14.9 p -100.75 134.05 44.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.825 0.345 . . . . 0.0 111.406 -175.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 123' ' ' GLU . 1.3 mp0 -92.19 141.63 28.37 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.729 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.426 ' CE2' HD12 ' A' ' 31' ' ' LEU . 83.0 m-85 -126.68 146.92 50.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.843 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -117.09 133.92 55.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -92.27 114.22 26.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.968 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -133.27 136.07 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.154 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 56.87 24.63 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.333 0.587 . . . . 0.0 110.349 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 91.47 -18.19 53.23 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.102 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 157.0 16.24 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 117.017 0.409 . . . . 0.0 110.14 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -102.71 131.68 49.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.901 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 61.5 m-85 -120.86 149.41 42.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.441 . . . . 0.0 110.367 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.05 117.17 16.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.597 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -96.58 -44.5 7.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.781 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HG3' ' OE1' ' A' ' 111' ' ' GLN . 12.8 pt-20 -166.78 158.23 12.7 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.474 -176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -152.86 123.74 1.49 Allowed Glycine 0 CA--C 1.517 0.158 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.154 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.45 143.58 45.88 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.529 0.332 . . . . 0.0 110.921 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.88 104.34 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 109' ' ' ARG . 9.9 p -101.22 158.13 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.168 0.509 . . . . 0.0 112.252 -166.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.245 173.169 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -129.29 -164.25 1.38 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.4 t -148.71 129.67 14.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.582 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 14.8 m -59.52 84.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 122.244 1.021 . . . . 0.0 109.81 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.582 ' SG ' ' O ' ' A' ' 4' ' ' VAL . 99.2 m -171.27 153.48 3.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.843 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 76' ' ' LEU . . . -74.49 52.92 2.34 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.606 175.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -160.87 122.63 3.04 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.62 55.89 4.46 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.459 -0.401 . . . . 0.0 113.193 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 35.0 mtmt -124.26 163.49 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 82.0 p -68.51 170.46 9.05 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.889 0.376 . . . . 0.0 111.233 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 39.6 t80 -59.33 -52.68 64.62 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.91 -55.17 38.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.852 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.13 -50.31 71.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.525 0.679 . . . . 0.0 110.731 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.4 t -79.77 -75.77 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.783 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 56.8 m -74.54 -24.99 59.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.63 -55.2 21.32 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 114.777 0.671 . . . . 0.0 114.777 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 47.7 Cg_endo -70.27 -26.61 25.0 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.08 1.854 . . . . 0.0 112.421 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.32 -47.94 25.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.885 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD23 ' CG ' ' A' ' 46' ' ' TYR . 28.0 mt -61.36 -32.02 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.249 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.49 -6.02 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.89 16.27 3.56 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.21 -19.51 56.59 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.48 0.657 . . . . 0.0 109.824 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 63.8 ttt-85 -130.78 130.02 43.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.706 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 p -86.44 126.86 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -51.16 -37.5 46.67 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.219 0.324 . . . . 0.0 111.232 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.96 15.44 9.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.664 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 p -159.49 141.88 10.02 Favored Pre-proline 0 C--O 1.238 0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.814 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.45 -49.02 6.45 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.704 2.269 . . . . 0.0 113.072 -172.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -65.65 -30.08 70.74 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.686 0.279 . . . . 0.0 111.637 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -69.45 -49.07 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 0.0 110.172 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.554 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.2 tm? -61.24 -35.82 78.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.172 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 76' ' ' LEU . 16.5 tmm? -64.22 -50.21 68.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.604 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.446 HH11 ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.41 -28.26 62.86 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.978 -175.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 51.8 p -69.79 -44.19 70.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.253 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -72.24 -32.5 66.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 -178.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 52.5 t80 -52.33 -44.92 65.41 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.02 0.438 . . . . 0.0 110.537 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -61.92 -36.72 82.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' A' ' 47' ' ' ILE . . . -59.44 -36.17 75.42 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.75 -46.86 88.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.193 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.46 -17.9 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 93.5 mt -99.1 4.74 47.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.61 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 4.7 tppp? 70.53 3.38 4.48 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.247 0.546 . . . . 0.0 110.957 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.14 79.3 5.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.214 0.53 . . . . 0.0 110.557 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -72.65 -9.93 59.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.559 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.26 -51.08 70.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.718 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CG ' HD23 ' A' ' 19' ' ' LEU . 52.6 t80 -65.88 -32.43 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' A' ' 38' ' ' ALA . 50.6 mm -62.63 -59.2 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.015 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.5 -35.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.658 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -67.5 -30.39 70.06 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.586 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.554 ' HB ' HD11 ' A' ' 31' ' ' LEU . 32.4 p -98.01 22.26 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 0.0 111.125 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -113.07 138.07 50.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.171 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.32 136.02 16.46 Favored Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 123.363 0.414 . . . . 0.0 109.978 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.91 -41.02 65.6 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 111.413 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.32 -28.86 67.19 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.516 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 122' ' ' SER . 35.2 mmt180 -99.25 -25.11 14.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.176 0.513 . . . . 0.0 110.285 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -64.13 -35.13 79.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.08 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.0 -27.12 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.138 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.6 -6.92 51.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.478 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -71.42 144.43 49.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 10.0 m-20 -118.98 129.29 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.225 175.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -59.56 -50.38 74.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -176.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.46 -48.01 68.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.035 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 60' ' ' ASP . 78.1 t -62.88 -36.2 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.729 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' HA ' ' CE3' ' A' ' 67' ' ' TRP . 33.0 t-20 -57.68 -46.23 84.55 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.394 0.616 . . . . 0.0 109.553 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 39.0 ttm180 -66.81 -42.23 86.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.382 175.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.93 -37.25 60.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -177.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 64' ' ' ASN . 24.3 m0 -57.84 -52.73 64.29 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.139 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 17.8 ptm -69.15 -31.17 69.65 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.824 0.345 . . . . 0.0 110.699 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 18.8 mm-40 -57.68 -45.65 85.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.947 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 12.0 pt-20 -99.45 12.93 35.04 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -146.39 79.99 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.811 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.66 101.44 1.03 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.959 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 87.6 m-85 -69.74 123.06 20.44 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.71 -175.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 96' ' ' PHE . 10.8 mp -93.54 -65.45 0.99 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.053 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.43 157.66 40.25 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.68 0.276 . . . . 0.0 110.691 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' SD ' ' A' ' 32' ' ' MET . 53.0 tp -110.23 150.4 28.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -176.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -132.89 103.88 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -85.83 109.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.66 0.266 . . . . 0.0 110.288 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.12 -64.38 1.15 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.816 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.0 153.03 24.74 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.316 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 p -135.27 153.24 51.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.621 0.248 . . . . 0.0 110.544 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -147.02 119.74 8.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.455 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -101.32 121.58 42.15 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -120.9 83.17 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.191 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.98 -90.1 0.21 Allowed Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.305 -0.474 . . . . 0.0 112.582 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -125.96 2.84 7.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 110.594 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -115.25 133.13 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.97 158.07 19.38 Favored Glycine 0 CA--C 1.507 -0.438 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.879 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -150.14 131.74 14.88 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.7 131.56 50.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -105.02 129.61 53.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -151.12 176.16 11.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.398 0.618 . . . . 0.0 111.861 -173.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 105' ' ' SER . 66.4 mt -132.18 121.89 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.557 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.38 123.15 46.3 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -95.35 132.8 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.575 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.7 p90 -154.34 159.67 41.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.672 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -89.33 115.03 26.5 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -69.64 119.16 13.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.219 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.64 -82.62 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.55 23.46 0.23 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.92 -103.28 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.282 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.06 137.07 43.14 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.899 2.399 . . . . 0.0 113.108 -170.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -75.95 101.45 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.203 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -96.55 145.7 25.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 6.8 p -116.16 112.15 21.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.228 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 7.1 t60 -83.25 111.59 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.142 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' HB2' HG12 ' A' ' 93' ' ' ILE . 10.1 t-160 -102.96 119.07 38.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.628 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 125' ' ' GLU . 7.1 pt-20 -153.9 -175.98 5.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.003 0.43 . . . . 0.0 111.022 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -133.47 107.9 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.622 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.6 m -97.51 139.29 33.65 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.996 0.427 . . . . 0.0 111.31 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.92 141.34 31.01 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.066 175.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -128.1 148.53 50.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.634 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -120.87 131.56 54.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 0.0 110.386 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -85.99 110.1 19.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.63 131.13 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.188 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 61.84 21.96 12.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.631 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.63 -13.67 66.84 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.825 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -102.32 156.75 17.38 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -97.72 132.85 42.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.71 0.291 . . . . 0.0 110.34 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.88 158.63 33.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.362 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -82.73 119.31 24.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.529 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.57 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 18.4 m -91.98 -45.95 8.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -178.32 154.31 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.512 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.81 130.88 4.53 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 9.9 pt-20 -155.12 171.37 19.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.86 0.362 . . . . 0.0 110.681 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.23 15.02 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.028 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.0 p -104.29 139.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.642 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.176 178.009 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' THR . 16.1 mmt . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.769 0.318 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -66.46 137.3 56.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.277 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 4.7 t -79.95 142.04 35.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.574 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 15.7 m -68.13 73.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 122.229 1.014 . . . . 0.0 110.102 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 37.7 m -167.16 149.3 6.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.813 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.64 70.81 1.11 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 m -130.22 -36.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.681 0.277 . . . . 0.0 111.572 -171.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.44 22.2 78.84 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.071 -176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -129.54 171.55 12.47 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.564 0.221 . . . . 0.0 110.423 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 69.9 p -73.07 178.96 4.03 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 44.6 t80 -60.34 -50.52 73.29 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 174.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.31 -47.81 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.557 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -60.87 -32.14 71.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' THR . 1.6 t -95.93 -78.34 0.46 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.783 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 67.0 m -73.87 -21.17 60.19 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.89 -55.17 15.48 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.352 -0.693 . . . . 0.0 114.755 -169.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 41.7 Cg_endo -68.45 -25.53 35.41 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.042 1.828 . . . . 0.0 112.442 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 46' ' ' TYR . 3.8 mm? -75.44 -51.6 12.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.302 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 15' ' ' CYS . 39.0 mt -72.3 -21.89 61.28 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.541 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 22' ' ' THR . . . -72.03 -9.37 58.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.041 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 21' ' ' ARG . 11.2 mmm180 59.65 27.38 16.6 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.499 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 20' ' ' ALA . 9.5 t -109.09 -24.56 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.436 -176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 14.4 ttm180 -123.81 145.9 48.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 111.48 -176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 p -96.09 134.69 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.51 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.966 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.29 13.15 6.75 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.007 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 m -159.7 140.47 9.05 Favored Pre-proline 0 C--O 1.235 0.3 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -60.49 -42.35 41.33 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.511 2.141 . . . . 0.0 111.592 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.6 -45.84 91.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.252 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HA ' ' HD2' ' A' ' 33' ' ' ARG . . . -66.47 -29.26 69.34 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.67 -178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.0 tm? -72.64 -47.43 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.562 178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.81 -50.69 65.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.811 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -65.72 -21.22 66.51 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.784 -174.351 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -76.3 -50.64 13.82 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.584 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB2' HD13 ' A' ' 47' ' ' ILE . 21.0 ptt180 -67.31 -32.41 73.36 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.606 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 65.4 t80 -52.37 -42.29 63.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 110.471 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.642 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . . . -67.56 -39.06 84.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.672 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.054 0.454 . . . . 0.0 110.214 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.917 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -29.65 68.18 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.244 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 98.5 mt -84.15 8.65 14.93 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 176.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 66.2 mmtt 68.32 6.54 5.38 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.478 0.711 . . . . 0.0 110.978 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -91.97 80.3 5.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.113 -174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.2 p90 -72.1 -11.84 60.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.75 -49.26 78.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.013 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.544 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 88.2 t80 -64.38 -32.77 74.52 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.358 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 39' ' ' TYR . 43.3 mm -62.2 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.04 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 44' ' ' PHE . 95.5 t -54.85 -45.1 74.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.336 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.64 -46.34 90.2 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.556 ' HB ' HD11 ' A' ' 31' ' ' LEU . 20.6 p -83.1 10.03 9.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.938 -172.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -98.55 147.91 24.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 9.7 t70 -50.21 134.6 23.44 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 123.854 0.721 . . . . 0.0 110.473 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.71 -27.29 33.19 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.15 -43.0 18.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 122' ' ' SER . 32.9 mmt180 -78.56 -19.41 52.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.02 -26.81 67.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.747 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.99 -23.84 62.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.688 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.22 -12.48 59.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.241 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -76.89 158.58 30.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.188 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -156.07 141.07 17.29 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.31 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -53.46 -44.71 69.15 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.756 -175.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.26 -55.18 36.86 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.417 0.627 . . . . 0.0 110.966 -175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.95 -43.7 85.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.145 -170.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -63.6 -39.29 94.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.487 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 10.6 tpt180 -62.5 -55.74 24.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 176.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -52.42 -46.48 66.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.815 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.6 t-105 -56.76 -51.51 68.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.482 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.547 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.4 ptt? -71.15 -18.25 62.51 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.741 0.305 . . . . 0.0 111.124 -176.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 6.2 mm-40 -76.77 -55.28 5.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 66' ' ' ALA . 10.8 pt-20 -82.56 -27.22 31.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.638 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.9 m -105.22 93.35 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.928 0.394 . . . . 0.0 110.362 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.99 121.14 23.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -75.48 114.64 14.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.877 0.37 . . . . 0.0 111.261 -175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.8 -54.78 3.62 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 39.3 tt0 -148.08 149.08 31.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.313 -167.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 77' ' ' ARG . 3.3 tm? -127.18 137.0 52.84 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' N ' HD13 ' A' ' 76' ' ' LEU . 38.2 ttm180 -142.44 109.07 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.751 0.31 . . . . 0.0 110.685 -176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.2 t -80.34 126.67 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.093 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.8 mt -96.65 -48.1 5.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 111.142 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.79 138.86 6.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.093 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -123.9 141.08 52.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.7 t -148.03 145.77 28.61 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.303 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -130.01 135.68 48.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.256 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -128.94 65.14 1.45 Allowed 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.46 -104.07 1.3 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.947 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 m -96.81 5.48 50.5 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 111.281 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 113' ' ' ARG . 19.4 tpt180 -136.41 139.11 42.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.93 175.72 27.11 Favored Glycine 0 CA--C 1.508 -0.349 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.265 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.6 m -151.45 142.94 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.52 126.54 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.12 0.486 . . . . 0.0 109.913 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.88 132.81 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -155.96 179.0 9.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.379 0.609 . . . . 0.0 111.499 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 57.9 mt -126.93 117.34 47.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.892 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.87 109.6 22.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.694 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 78.3 ttt180 -95.24 122.2 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.965 0.412 . . . . 0.0 110.227 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -143.42 169.78 17.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.155 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 54.1 ttp180 -89.76 122.01 32.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 3.5 tpm_? -82.15 79.72 8.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.249 -174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.03 -150.05 38.61 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.424 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.16 93.8 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.205 -0.522 . . . . 0.0 113.011 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.49 -80.93 0.35 Allowed Glycine 0 CA--C 1.523 0.555 0 C-N-CA 121.292 -0.48 . . . . 0.0 113.573 173.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -69.18 155.68 67.14 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.173 2.582 . . . . 0.0 113.489 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 65.3 mt-10 -98.01 171.55 8.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.522 174.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -161.41 146.45 13.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.242 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.5 p -129.2 111.84 13.32 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -85.65 107.49 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.359 -176.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -91.43 101.11 13.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.54 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -122.23 166.09 15.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 111.096 -174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -132.89 101.26 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.432 ' HA ' ' HA2' ' A' ' 124' ' ' GLY . 73.6 m -107.64 141.27 39.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.242 0.544 . . . . 0.0 112.016 -171.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -97.94 143.25 28.72 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.251 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -127.24 140.85 51.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.485 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HB2' HH11 ' A' ' 87' ' ' ARG . 22.2 ttp180 -109.52 138.94 45.14 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HE2' ' HA2' ' A' ' 117' ' ' GLY . 78.5 tttt -95.71 122.87 38.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.262 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.07 132.55 36.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.845 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 62.51 17.12 9.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.219 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA2' ' HE2' ' A' ' 114' ' ' LYS . . . 91.71 -14.79 63.17 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.224 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.52 148.34 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -98.3 136.77 38.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -125.42 136.0 52.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.169 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -62.79 112.54 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.207 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.52 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 56.3 m -95.4 -31.8 13.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.794 -173.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 178.6 159.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 110' ' ' SER . . . -151.05 146.69 15.87 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.85 164.37 36.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.72 115.51 19.37 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.2 p -57.96 108.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.257 0.551 . . . . 0.0 111.121 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.628 179.807 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.746 0.307 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -82.53 -166.63 1.34 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -131.05 137.43 49.15 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.681 -177.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.77 -14.85 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.853 0.461 . . . . 0.0 111.926 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 34.4 m -64.87 173.17 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.734 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.53 54.21 2.84 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 169.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -160.88 114.68 2.05 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.7 -9.7 59.49 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.246 -0.502 . . . . 0.0 112.974 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 3' ' ' CYS . 22.0 mtmt -59.78 159.55 8.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -67.63 172.56 5.04 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.052 -173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -51.36 -55.7 17.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.247 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.4 -54.03 19.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.756 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.58 -33.08 65.84 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.13 0.491 . . . . 0.0 110.971 -173.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.0 t -93.2 -75.94 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.093 176.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 m -74.63 -26.57 59.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.86 -55.23 15.23 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 114.637 0.615 . . . . 0.0 114.637 -168.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 58.0 Cg_endo -72.29 -25.28 18.78 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 122.021 1.814 . . . . 0.0 112.683 -178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.8 mm? -75.57 -50.73 14.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.993 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.14 -30.8 69.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.39 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.216 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' HD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 60.08 20.27 9.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.285 -176.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -84.55 -16.01 43.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.99 0.424 . . . . 0.0 110.55 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 77.3 ttt180 -134.21 130.22 36.88 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 p -85.54 120.57 27.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.385 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.38 66.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.678 0.275 . . . . 0.0 111.154 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.84 15.72 8.47 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.942 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 40.3 t -146.95 137.52 12.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.14 -46.38 12.99 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.557 2.172 . . . . 0.0 111.818 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.0 pt-20 -62.57 -46.44 88.33 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' GLU . . . -62.25 -40.49 96.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 50' ' ' THR . 3.3 tm? -70.6 -41.13 72.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.927 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 15.8 tmm? -62.57 -51.05 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.794 -175.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -74.83 -20.89 59.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.835 -175.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HG ' HH11 ' A' ' 33' ' ' ARG . 56.5 m -72.59 -46.81 52.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.293 173.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 32' ' ' MET . 1.7 ptm180 -69.15 -34.7 75.41 Favored 'General case' 0 C--O 1.226 -0.154 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 76' ' ' LEU . 34.0 t80 -51.38 -42.07 61.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 110.592 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.599 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -58.82 -33.44 70.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.792 -178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -58.87 -37.63 76.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.899 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' HE2' ' HB3' ' A' ' 67' ' ' TRP . 8.3 m-85 -63.69 -44.51 93.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 110.419 175.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.4 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 89.8 mt -99.22 15.64 25.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.682 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HA ' ' SD ' ' A' ' 68' ' ' MET . 0.1 OUTLIER 51.33 14.96 0.26 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.397 178.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 24.7 t70 -102.78 92.27 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.2 p90 -72.45 -13.63 61.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.219 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.9 -51.98 66.98 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.545 0.212 . . . . 0.0 111.011 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.446 ' HD1' ' HD2' ' A' ' 21' ' ' ARG . 32.3 t80 -61.56 -32.59 72.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.763 0.316 . . . . 0.0 110.478 179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 35' ' ' ARG . 44.7 mm -61.13 -56.14 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.222 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 44' ' ' PHE . 54.9 t -51.31 -45.65 33.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.611 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.85 -28.36 69.97 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.104 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.469 ' HB ' HD11 ' A' ' 31' ' ' LEU . 30.1 p -101.05 22.67 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.362 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.3 m -103.61 148.75 25.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.724 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.49 ' HB2' ' HA ' ' A' ' 122' ' ' SER . 10.0 t70 -49.19 135.12 15.92 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.09 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -53.72 -33.77 71.46 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.47 2.114 . . . . 0.0 112.124 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.8 -12.88 55.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.536 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 36.5 mmt180 -101.03 -31.69 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.014 0.435 . . . . 0.0 110.413 177.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.733 -173.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 -30.7 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.596 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -84.06 -23.53 30.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.86 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.26 126.3 26.87 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.32 145.14 40.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.108 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -61.78 -49.8 74.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 -174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.07 -42.21 99.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.504 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.65 -43.11 98.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.513 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -40.77 98.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.408 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.3 ttp180 -64.42 -48.43 75.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.109 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.92 -35.67 46.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.327 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.455 ' HB3' ' HE2' ' A' ' 39' ' ' TYR . 2.1 t-105 -59.65 -53.41 58.31 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.682 ' SD ' ' HA ' ' A' ' 42' ' ' LYS . 27.5 ptt? -71.75 -21.87 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 38.2 mt-10 -74.24 -35.69 63.85 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.465 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' TRP . 16.2 pt-20 -85.19 -7.88 58.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.726 0.298 . . . . 0.0 110.865 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.0 p -158.42 107.05 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 111.327 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -79.99 109.58 14.56 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 92.8 m-85 -74.99 116.47 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.943 0.401 . . . . 0.0 111.913 -174.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -90.06 -56.43 3.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.746 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.539 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 38.5 tt0 -141.89 147.23 36.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 111.422 -167.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.64 ' HB2' ' CE2' ' A' ' 36' ' ' TYR . 3.1 tm? -117.89 142.36 47.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.906 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.481 ' N ' HD13 ' A' ' 76' ' ' LEU . 34.8 ttm180 -140.83 102.11 4.21 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.235 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.25 129.34 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.51 HD11 HG13 ' A' ' 93' ' ' ILE . 78.0 mt -99.55 -50.17 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.605 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.45 161.35 29.14 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p -153.19 117.48 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 110.985 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.589 ' HB3' ' HE2' ' A' ' 84' ' ' LYS . 23.8 m -103.92 134.42 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.227 176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.23 114.88 19.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 82' ' ' SER . 70.9 mmtt -117.26 51.08 1.04 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.257 0.551 . . . . 0.0 109.965 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.53 -97.83 1.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.876 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 114' ' ' LYS . 18.0 p -92.2 -1.32 57.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.849 0.357 . . . . 0.0 111.491 -175.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.581 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 4.0 tmm_? -144.11 142.24 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.581 ' N ' ' HD2' ' A' ' 87' ' ' ARG . . . -153.77 -178.09 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.4 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -152.57 148.83 27.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -139.78 125.84 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.081 0.467 . . . . 0.0 109.852 174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.87 132.52 50.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.085 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.0 177.31 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.51 HG13 HD11 ' A' ' 79' ' ' LEU . 78.8 mt -123.16 115.95 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.567 175.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.42 116.38 28.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.008 176.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HD3' ' HB3' ' A' ' 75' ' ' GLU . 55.0 ttt180 -94.99 116.79 29.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -136.61 175.71 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.319 0.581 . . . . 0.0 111.66 -177.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 47.9 ttt180 -114.38 107.51 15.65 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.2 ptt85 -80.13 149.5 30.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.821 0.343 . . . . 0.0 110.775 -174.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.26 -89.28 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -172.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.03 19.47 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.29 -79.57 0.13 Allowed Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.542 -173.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.65 137.47 20.35 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.505 2.137 . . . . 0.0 112.799 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 37.8 mt-10 -76.73 155.48 33.2 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.807 173.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -161.22 146.41 13.91 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 p -106.35 150.76 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.846 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -129.64 104.82 7.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.071 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.463 ' HB2' HG12 ' A' ' 93' ' ' ILE . 12.9 t-160 -93.0 105.35 17.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.976 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' HA ' ' H ' ' A' ' 127' ' ' VAL . 6.0 pt-20 -129.18 -177.62 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 111.445 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -134.35 107.14 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.821 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 m -98.98 126.9 44.78 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.849 0.357 . . . . 0.0 111.408 -175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.96 143.12 27.28 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.953 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -134.39 142.19 47.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.736 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 ttm-85 -104.64 148.93 26.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 86' ' ' SER . 78.8 tttt -105.29 122.77 46.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.861 0.362 . . . . 0.0 110.682 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.43 139.73 27.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 63.78 10.43 5.14 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.364 0.265 . . . . 0.0 111.157 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 88.2 -11.59 67.07 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -90.44 158.2 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -109.05 141.87 40.57 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -129.55 134.57 47.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.601 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.97 116.12 6.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.207 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.49 ' HA ' ' HB2' ' A' ' 52' ' ' ASP . 51.1 m -91.26 -50.14 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.622 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.44 150.8 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.763 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -141.11 156.56 25.64 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 108' ' ' GLU . 13.4 pt-20 -163.65 146.84 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.724 0.297 . . . . 0.0 110.833 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.84 107.71 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.139 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.484 ' H ' ' HA ' ' A' ' 108' ' ' GLU . 11.8 p -76.5 146.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.554 -177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.106 -179.026 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.19 -179.47 1.27 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.684 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.599 ' SG ' ' HA ' ' A' ' 11' ' ' TYR . 2.5 t -131.13 132.18 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.558 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.514 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.1 m -63.65 80.78 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 122.095 0.95 . . . . 0.0 110.032 173.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m -165.73 144.39 6.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.594 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.83 74.23 0.25 Allowed Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 p -174.23 134.56 0.43 Allowed 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.04 57.14 3.97 Favored Glycine 0 C--N 1.329 0.151 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -124.4 156.64 36.76 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.702 0.401 . . . . 0.0 110.94 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 14' ' ' CYS . 35.2 p -79.58 169.66 17.69 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.135 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 t80 -57.61 -54.12 50.4 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.768 0.318 . . . . 0.0 110.266 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.94 -53.52 20.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.97 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -53.52 -31.77 47.6 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.425 0.631 . . . . 0.0 110.663 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.7 t -94.04 -80.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.517 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 63.1 m -73.79 -21.47 60.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -173.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.64 -55.75 23.66 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 120.848 -0.691 . . . . 0.0 114.376 -170.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 56.5 Cg_endo -71.75 -25.31 20.53 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.151 1.901 . . . . 0.0 112.565 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 14' ' ' CYS . 3.7 mm? -75.51 -51.5 12.81 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.39 -32.27 73.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.84 -11.16 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.286 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 62.08 14.63 6.69 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.999 0.428 . . . . 0.0 110.886 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -99.28 -33.28 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.109 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 39.6 ttm180 -115.1 132.78 56.49 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.922 0.391 . . . . 0.0 111.245 -175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -83.75 132.96 34.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.325 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -59.68 -28.15 67.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.65 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 60.29 14.48 4.67 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.883 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.5 p -162.04 139.56 6.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.75 -53.44 4.49 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.937 2.424 . . . . 0.0 112.887 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 4.8 pt-20 -60.7 -40.12 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.181 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HB1' ' A' ' 25' ' ' ALA . . . -60.65 -41.35 94.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.109 0.481 . . . . 0.0 110.855 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.16 -41.48 77.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.747 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.463 ' SD ' ' NH2' ' A' ' 35' ' ' ARG . 12.9 tpt -65.58 -50.11 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.373 -172.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -70.22 -21.83 62.97 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.499 -176.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -71.65 -41.48 68.71 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' NH2' ' SD ' ' A' ' 32' ' ' MET . 33.9 mtm180 -63.08 -39.03 93.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.5 -46.74 70.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.6 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.626 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . . . -62.71 -34.85 78.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.643 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.27 96.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' HG13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.32 -37.55 85.64 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.184 177.474 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.1 -25.35 66.96 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.508 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -100.26 16.89 22.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.229 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 45.36 21.62 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.257 1.023 . . . . 0.0 112.522 -175.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.98 61.39 5.87 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.199 175.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' HA ' HG12 ' A' ' 47' ' ' ILE . 35.4 p90 -63.18 -16.12 59.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.151 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -52.27 -39.92 61.05 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.87 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' OH ' ' HB3' ' A' ' 18' ' ' LEU . 59.5 t80 -70.73 -32.39 69.56 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.705 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.452 HG13 ' CD1' ' A' ' 39' ' ' TYR . 38.0 mm -63.17 -48.66 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.504 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.35 -34.28 69.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.181 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -62.56 -25.01 67.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.574 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -109.43 23.05 15.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 111.22 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 m -99.06 150.82 21.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.335 175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 11.8 t70 -52.93 136.96 46.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.278 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.48 -33.35 46.89 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.934 2.423 . . . . 0.0 112.419 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.01 -47.16 16.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.748 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG2' ' HB3' ' A' ' 52' ' ' ASP . 13.5 mmt180 -70.77 -25.91 63.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.852 -175.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -59.34 -26.8 65.35 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.84 -32.36 70.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.143 0.496 . . . . 0.0 110.238 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.4 -20.86 43.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.798 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.97 120.81 17.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.022 0.439 . . . . 0.0 111.452 -176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -120.23 140.19 51.55 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.825 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.92 -42.01 95.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.729 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -66.62 -37.94 85.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.703 0.287 . . . . 0.0 110.737 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.47 -46.22 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.094 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -57.5 -40.83 79.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 78.8 ttt180 -63.35 -46.14 87.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.481 177.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.66 -175.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' GLU . 15.6 t90 -66.51 -43.02 86.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.197 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 24.5 ptt? -70.81 -19.54 62.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.328 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 32.8 mm-40 -78.41 -42.51 29.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.593 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 67' ' ' TRP . 10.2 pt-20 -82.27 -8.3 59.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.227 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.1 m -143.83 107.06 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 111.74 -177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.08 109.87 19.14 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 96' ' ' PHE . 93.4 m-85 -71.52 116.75 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.842 0.354 . . . . 0.0 111.656 -174.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.18 -50.27 6.24 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.012 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -157.85 150.19 22.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.0 tp -104.36 145.91 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.834 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.475 ' HD2' HD12 ' A' ' 93' ' ' ILE . 55.0 ttm-85 -130.85 99.05 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.9 t -82.89 128.14 39.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.53 -59.3 1.74 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -136.91 153.52 21.78 Favored Glycine 0 N--CA 1.453 -0.233 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.262 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 p -156.82 138.93 14.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.2 m -150.39 125.32 9.86 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' HG3' ' HZ2' ' A' ' 119' ' ' TRP . 33.7 tt0 -98.12 117.4 32.41 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 170.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -112.56 83.72 1.86 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.182 0.515 . . . . 0.0 110.043 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.91 -91.95 0.61 Allowed Glycine 0 CA--C 1.518 0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.498 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -127.69 11.69 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.274 0.559 . . . . 0.0 110.703 -177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' NH2' ' HG2' ' A' ' 111' ' ' GLN . 2.1 tmt_? -139.31 133.64 31.47 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.1 171.81 23.2 Favored Glycine 0 CA--C 1.508 -0.344 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.77 -175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 61.1 m -149.06 144.39 26.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.01 127.06 23.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.165 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.3 139.5 39.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.4 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -156.67 -177.85 6.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.003 0.43 . . . . 0.0 111.049 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.475 HD12 ' HD2' ' A' ' 77' ' ' ARG . 90.0 mt -134.62 117.14 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.183 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.71 114.56 27.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.434 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -95.25 114.65 26.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 1.3 p90 -138.83 159.52 41.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.444 -177.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 50.0 ttp180 -90.32 120.03 31.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 98' ' ' ARG . 45.6 ttt-85 -70.12 138.22 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.66 83.74 0.01 OUTLIER Glycine 0 C--N 1.334 0.463 0 O-C-N 123.602 0.564 . . . . 0.0 112.431 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 98' ' ' ARG . . . 165.65 -27.58 0.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 -177.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . 147.14 -61.27 0.46 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.521 178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 37.0 Cg_endo -63.38 135.88 52.27 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.725 2.283 . . . . 0.0 113.381 -173.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ARG . 36.6 mt-10 -77.44 121.61 24.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.773 173.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -110.59 141.59 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.951 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.3 p -118.81 111.86 18.98 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -100.33 128.27 46.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -104.94 103.82 13.45 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.41 174.08 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.374 0.607 . . . . 0.0 111.245 -177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -136.61 118.46 15.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.272 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.5 m -105.21 128.95 53.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' HG2' ' NH2' ' A' ' 87' ' ' ARG . 1.5 mp0 -95.62 141.14 29.48 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.703 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' HZ ' ' SD ' ' A' ' 32' ' ' MET . 75.9 m-85 -129.29 146.6 51.16 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -176.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -103.57 136.34 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.625 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -99.95 114.56 27.9 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.927 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.9 20.92 11.18 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.385 0.612 . . . . 0.0 109.794 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.24 51.76 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.27 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -88.62 144.1 26.51 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.432 ' HZ2' ' HG3' ' A' ' 83' ' ' GLU . 79.0 m95 -92.76 128.6 38.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.688 175.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -122.12 144.14 49.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.024 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.84 124.73 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.4 m -98.21 -63.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.405 177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.43 151.6 29.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.859 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -160.01 140.84 7.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.153 -177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -160.93 174.15 14.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.72 136.73 58.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.102 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.6 p -95.04 146.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.332 . . . . 0.0 110.841 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.398 179.541 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_